Target type: molecularfunction
Binding to an identical protein or proteins. [GOC:jl]
Identical protein binding refers to the interaction between two or more identical protein molecules. This interaction can be mediated by various forces, including hydrogen bonds, hydrophobic interactions, electrostatic interactions, and van der Waals forces. Identical protein binding plays a critical role in a wide range of biological processes, including:
* **Protein folding and assembly:** Identical protein molecules can interact to form multimeric protein complexes, which are essential for proper protein function.
* **Regulation of enzyme activity:** Binding of identical protein molecules to an enzyme can alter its activity by either activating or inhibiting it.
* **Signal transduction:** Some proteins act as signal transducers, and their interactions with identical protein molecules can amplify or modulate the signal.
* **Cellular structure and organization:** Many proteins contribute to the structure and organization of cells, and their interactions with identical protein molecules are essential for maintaining these structures.
* **Cellular processes:** Identical protein binding can be involved in a variety of cellular processes, such as DNA replication, transcription, and translation.
The specific molecular function of identical protein binding varies depending on the proteins involved. However, in general, it allows for the formation of stable complexes, the regulation of protein activity, and the coordination of cellular processes.'
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| Protein | Definition | Taxonomy |
|---|---|---|
| 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | A 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P62617] | Escherichia coli K-12 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | A 1-deoxy-D-xylulose 5-phosphate reductoisomerase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P45568] | Escherichia coli K-12 |
| Oxygen-insensitive NAD(P)H nitroreductase | An oxygen-insensitive NAD(P)H nitroreductase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P38489] | Escherichia coli K-12 |
| Ribonuclease T | A ribonuclease T that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P30014] | Escherichia coli K-12 |
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | A 5-methylthioadenosine/S-adenosylhomocysteine nucleosidase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AF12] | Escherichia coli K-12 |
| DNA gyrase subunit A | A DNA gyrase subunit A that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AES4] | Escherichia coli K-12 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | An enoyl-[acyl-carrier-protein] reductase [NADH] FabI that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AEK4] | Escherichia coli K-12 |
| Inosine-5'-monophosphate dehydrogenase | An inosine-5-monophosphate dehydrogenase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0ADG7] | Escherichia coli K-12 |
| Fructose-bisphosphate aldolase class 2 | A fructose-bisphosphate aldolase class 2 that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AB71] | Escherichia coli K-12 |
| Cell division protein FtsZ | A cell division protein FtsZ that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A9A6] | Escherichia coli K-12 |
| KHG/KDPG aldolase | A KHG/KDPG aldolase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A955] | Escherichia coli K-12 |
| Tryptophan synthase beta chain | A tryptophan synthase beta chain that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A879] | Escherichia coli K-12 |
| Tryptophanase | A tryptophanase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A853] | Escherichia coli K-12 |
| Glutamate 5-kinase | A glutamate 5-kinase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A7B5] | Escherichia coli K-12 |
| 4-hydroxy-tetrahydrodipicolinate synthase | A 4-hydroxy-tetrahydrodipicolinate synthase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A6L2] | Escherichia coli K-12 |
| ATP-dependent Clp protease proteolytic subunit | An ATP-dependent Clp protease proteolytic subunit that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A6G7] | Escherichia coli K-12 |
| 60 kDa chaperonin | A chaperonin GroEL that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A6F5] | Escherichia coli K-12 |
| Rhomboid protease GlpG | A rhomboid protease GlpG that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P09391] | Escherichia coli K-12 |
| Cystathionine beta-lyase MetC | A cystathionine beta-lyase MetC that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P06721] | Escherichia coli K-12 |
| Beta-glucuronidase | A beta-glucuronidase that is encoded in the genome of Escherichia coli K-12. [OMA:P05804, PRO:DNx] | Escherichia coli K-12 |
| Ketol-acid reductoisomerase (NADP(+)) | A ketol-acid reductoisomerase (NADP(+)) that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P05793] | Escherichia coli K-12 |
| Beta-galactosidase | A bacterial-type beta-galactosidase that is encoded in the genome of Escherichia coli K-12. [PRO:DAN, UniProtKB:P00722] | Escherichia coli K-12 |
| Bifunctional aspartokinase/homoserine dehydrogenase 1 | A bifunctional aspartokinase/homoserine dehydrogenase 1 that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P00561] | Escherichia coli K-12 |
| 5-hydroxytryptamine receptor 2A | [no definition available] | Bos taurus (cattle) |
| Retinoid isomerohydrolase | [no definition available] | Bos taurus (cattle) |
| Beta-lactoglobulin | A glycodelin that is encoded in the genome of cow. [OMA:P02754, PRO:DNx] | Bos taurus (cattle) |
| Rhodopsin | A rhodopsin that is encoded in the genome of cow. [OMA:P02699, PRO:DNx] | Bos taurus (cattle) |
| Seminal ribonuclease | A protein that is a translation product of the SRN gene in cow. [PRO:DNx, UniProtKB:P00669] | Bos taurus (cattle) |
| cAMP-dependent protein kinase type I-alpha regulatory subunit [Cleaved into: cAMP-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed] | A cAMP-dependent protein kinase type I-alpha regulatory subunit that is encoded in the genome of cow. [OMA:P00514, PRO:DNx] | Bos taurus (cattle) |
| Glutamate dehydrogenase 1, mitochondrial | [no definition available] | Bos taurus (cattle) |
| E3 ubiquitin-protein ligase Mdm2 | [no definition available] | Canis lupus familiaris (dog) |
| 5-hydroxytryptamine receptor 2A | A protein that is a translation product of the HTR2A gene in dog. [PRO:DNx, UniProtKB:O46635] | Canis lupus familiaris (dog) |
| Myc proto-oncogene protein | A c-myc protein that is encoded in the genome of chicken. [OMA:P01109, PRO:DNx] | Gallus gallus (chicken) |
| ATP-dependent 6-phosphofructokinase, platelet type | An ATP-dependent 6-phosphofructokinase, platelet type that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| NF-kappa-B essential modulator | An NF-kappa-B essential modulator that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| DNA (cytosine-5)-methyltransferase 3A | A DNA (cytosine-5)-methyltransferase 3A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y6K1] | Homo sapiens (human) |
| Receptor-interacting serine/threonine-protein kinase 3 | A receptor-interacting serine/threonine-protein kinase 3 that is encoded in the genome of human. [PRO:CNA, Reactome:R-HSA-450328] | Homo sapiens (human) |
| Ubiquitin carboxyl-terminal hydrolase 15 | A ubiquitin carboxyl-terminal hydrolase 15 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y4E8] | Homo sapiens (human) |
| Lethal(3)malignant brain tumor-like protein 1 | A lethal(3)malignant brain tumor-like protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y468] | Homo sapiens (human) |
| Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | A potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9Y3Q4] | Homo sapiens (human) |
| Nischarin | A nischarin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2I1] | Homo sapiens (human) |
| Nucleotide-binding oligomerization domain-containing protein 1 | A nucleotide-binding oligomerization domain-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y239] | Homo sapiens (human) |
| RuvB-like 2 | A RuvB-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y230] | Homo sapiens (human) |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | A calcium/calmodulin-dependent protein kinase type II subunit alpha that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9UQM7] | Homo sapiens (human) |
| Histone deacetylase 5 | A histone deacetylase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UQL6] | Homo sapiens (human) |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | A broad substrate specificity ATP-binding cassette transporter ABCG2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9UNQ0] | Homo sapiens (human) |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | An a disintegrin and metalloproteinase with thrombospondin motifs 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UNA0] | Homo sapiens (human) |
| ALK tyrosine kinase receptor | An ALK tyrosine kinase receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9UM73] | Homo sapiens (human) |
| Protein-arginine deiminase type-4 | A protein-arginine deiminase type-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UM07] | Homo sapiens (human) |
| Protein-arginine deiminase type-3 | A protein-arginine deiminase type-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9ULW8] | Homo sapiens (human) |
| Zinc finger protein Aiolos | A zinc finger protein Aiolos that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9UKT9] | Homo sapiens (human) |
| Death-associated protein kinase 2 | A death-associated protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UIK4] | Homo sapiens (human) |
| Serine/threonine-protein kinase TBK1 | A serine/threonine-protein kinase TBK1 that is encoded in the genome of human. [PMID:17327220, PRO:CNA, Reactome:R-HSA-166267] | Homo sapiens (human) |
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | A mucosa-associated lymphoid tissue lymphoma translocation protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UDY8] | Homo sapiens (human) |
| P2X purinoceptor 2 | A P2X purinoceptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBL9] | Homo sapiens (human) |
| Serine/threonine-protein kinase 26 | A serine/threonine-protein kinase 26 that is encoded in the genome of human. [PRO:WCB] | Homo sapiens (human) |
| Eukaryotic translation initiation factor 2-alpha kinase 3 | A eukaryotic translation initiation factor 2-alpha kinase 3 that is encoded in the genome of human. [PRO:CNx, UniProtKB:Q9NZJ5] | Homo sapiens (human) |
| CDGSH iron-sulfur domain-containing protein 1 | A CDGSH iron-sulfur domain-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NZ45] | Homo sapiens (human) |
| Sphingomyelin phosphodiesterase 3 | A sphingomyelin phosphodiesterase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NY59] | Homo sapiens (human) |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1 | A 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NQ66] | Homo sapiens (human) |
| Solute carrier family 40 member 1 | A solute carrier family 40 member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NP59] | Homo sapiens (human) |
| Transient receptor potential cation channel subfamily V member 4 | A transient receptor potential cation channel TRPV4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9HBA0] | Homo sapiens (human) |
| Inactive tyrosine-protein kinase PEAK1 | An inactive tyrosine-protein kinase PEAK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H792] | Homo sapiens (human) |
| dCTP pyrophosphatase 1 | A dCTP pyrophosphatase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H773] | Homo sapiens (human) |
| UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | A UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H3H5] | Homo sapiens (human) |
| STE20-like serine/threonine-protein kinase | A STE20-like serine/threonine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2G2] | Homo sapiens (human) |
| Transient receptor potential cation channel subfamily V member 6 | A transient receptor potential cation channel subfamily V member 6 that is encoded in the genome of human. [PRO:HJD, UniProtKB:Q9H1D0] | Homo sapiens (human) |
| Sharpin | A sharpin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H0F6] | Homo sapiens (human) |
| Single-stranded DNA cytosine deaminase | A single-stranded DNA cytosine deaminase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9GZX7] | Homo sapiens (human) |
| Serine racemase | A serine racemase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9GZT4] | Homo sapiens (human) |
| Protein dpy-30 homolog | A protein dpy-30 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9C005] | Homo sapiens (human) |
| RanBP-type and C3HC4-type zinc finger-containing protein 1 | A RanBP-type and C3HC4-type zinc finger-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BYM8] | Homo sapiens (human) |
| Angiotensin-converting enzyme 2 | An angiotensin-converting enzyme 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BYF1] | Homo sapiens (human) |
| Protein arginine N-methyltransferase 1 | A protein arginine N-methyltransferase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99873] | Homo sapiens (human) |
| Mitogen-activated protein kinase kinase kinase 5 | A mitogen-activated protein kinase kinase kinase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99683] | Homo sapiens (human) |
| P2X purinoceptor 7 | A P2X purinoceptor 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99572] | Homo sapiens (human) |
| P2X purinoceptor 4 | A P2X purinoceptor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99571] | Homo sapiens (human) |
| E3 ubiquitin-protein ligase UHRF1 | An E3 ubiquitin-protein ligase UHRF1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96T88] | Homo sapiens (human) |
| NACHT, LRR and PYD domains-containing protein 3 | A NACHT, LRR and PYD domains-containing protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96P20] | Homo sapiens (human) |
| Lethal(3)malignant brain tumor-like protein 3 | A lethal(3)malignant brain tumor-like protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96JM7] | Homo sapiens (human) |
| Thialysine N-epsilon-acetyltransferase | A thialysine N-epsilon-acetyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96F10] | Homo sapiens (human) |
| E3 ubiquitin-protein ligase RNF31 | An E3 ubiquitin-protein ligase RNF31 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96EP0] | Homo sapiens (human) |
| NAD-dependent protein deacetylase sirtuin-1 | An NAD-dependent protein deacetylase sirtuin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96EB6] | Homo sapiens (human) |
| Calcium release-activated calcium channel protein 1 | A calcium release-activated calcium channel protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96D31] | Homo sapiens (human) |
| m7GpppX diphosphatase | A scavenger mRNA-decapping enzyme DcpS that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96C86] | Homo sapiens (human) |
| Adiponectin receptor protein 1 | An adiponectin receptor protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96A54] | Homo sapiens (human) |
| DNA repair endonuclease XPF | A DNA repair endonuclease XPF that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Bcl-2-like protein 2 | A protein that is a translation product of any of the following genes in human | Homo sapiens (human) |
| Ryanodine receptor 2 | A ryanodine receptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92736] | Homo sapiens (human) |
| Glutamate receptor ionotropic, NMDA 3A | A glutamate receptor ionotropic, NMDA 3A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TCU5] | Homo sapiens (human) |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | A phosphatidylinositol 5-phosphate 4-kinase type-2 gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TBX8] | Homo sapiens (human) |
| NEDD8-activating enzyme E1 catalytic subunit | A NEDD8-activating enzyme E1 catalytic subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TBC4] | Homo sapiens (human) |
| Transient receptor potential cation channel subfamily V member 1 | A transient receptor potential cation channel TRPV1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q8NER1] | Homo sapiens (human) |
| Secreted frizzled-related protein 1 | A secreted frizzled-related protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N474] | Homo sapiens (human) |
| Stimulator of interferon genes protein | A transmembrane protein 173 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86WV6] | Homo sapiens (human) |
| Adiponectin receptor protein 2 | An adiponectin receptor protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86V24] | Homo sapiens (human) |
| Serine/threonine-protein kinase tousled-like 2 | A serine/threonine-protein kinase tousled-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UE8] | Homo sapiens (human) |
| Sodium/hydrogen exchanger 9B2 | A sodium/hydrogen exchanger 9B2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UD5] | Homo sapiens (human) |
| Dipeptidyl peptidase 9 | A dipeptidyl peptidase 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86TI2] | Homo sapiens (human) |
| Transient receptor potential cation channel subfamily M member 8 | A transient receptor potential cation channel TRPM8 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q7Z2W7] | Homo sapiens (human) |
| Ribonucleoside-diphosphate reductase subunit M2 B | A ribonucleoside-diphosphate reductase subunit M2 B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7LG56] | Homo sapiens (human) |
| Tubulin alpha-1A chain | A tubulin alpha-1A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q71U36] | Homo sapiens (human) |
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D | An N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6IQ20] | Homo sapiens (human) |
| Anoctamin-1 | An anoctamin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5XXA6] | Homo sapiens (human) |
| Disabled homolog 2-interacting protein | A disabled homolog 2-interacting protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5VWQ8] | Homo sapiens (human) |
| Serine/threonine-protein kinase MRCK alpha | A serine/threonine-protein kinase MRCK alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5VT25] | Homo sapiens (human) |
| Leucine-rich repeat serine/threonine-protein kinase 2 | A leucine-rich repeat serine/threonine-protein kinase 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q5S007] | Homo sapiens (human) |
| Solute carrier family 22 member 6 | A solute carrier family 22 member 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q4U2R8] | Homo sapiens (human) |
| Thioredoxin reductase 1, cytoplasmic | A thioredoxin reductase 1, cytoplasmic that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16881] | Homo sapiens (human) |
| Leukotriene C4 synthase | A leukotriene C4 synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16873] | Homo sapiens (human) |
| Membrane primary amine oxidase | A membrane primary amine oxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16853] | Homo sapiens (human) |
| Uridine phosphorylase 1 | A uridine phosphorylase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16831] | Homo sapiens (human) |
| Meprin A subunit beta | A meprin A subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16820] | Homo sapiens (human) |
| ATP-dependent Clp protease proteolytic subunit, mitochondrial | An ATP-dependent Clp protease proteolytic subunit, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16740] | Homo sapiens (human) |
| Survival motor neuron protein | A survival motor neuron protein that is encoded in the genome of human. [PRO:DAN, UniProtKB:Q16637] | Homo sapiens (human) |
| Bcl-2 homologous antagonist/killer | A Bcl-2 homologous antagonist/killer that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q16611] | Homo sapiens (human) |
| Mitogen-activated protein kinase kinase kinase 11 | A mitogen-activated protein kinase kinase kinase 11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16584] | Homo sapiens (human) |
| Coiled-coil domain-containing protein 6 | A coiled-coil domain-containing protein 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16204] | Homo sapiens (human) |
| Tryptase alpha/beta-1 | A tryptase alpha/beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15661] | Homo sapiens (human) |
| RISC-loading complex subunit TARBP2 | A RISC-loading complex subunit TARBP2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15633] | Homo sapiens (human) |
| Serine/threonine-protein kinase D1 | A serine/threonine-protein kinase D1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15139] | Homo sapiens (human) |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | A 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15125] | Homo sapiens (human) |
| Advanced glycosylation end product-specific receptor | An advanced glycosylation end product-specific receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15109] | Homo sapiens (human) |
| Lysine--tRNA ligase | A eukaryotic-type lysine--tRNA ligase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15046] | Homo sapiens (human) |
| Caspase-8 | A caspase-8 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Glycine N-methyltransferase | A glycine N-methyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14749] | Homo sapiens (human) |
| Interferon regulatory factor 3 | An interferon regulatory factor 3 that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
| UDP-glucose 4-epimerase | A UDP-glucose 4-epimerase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14376] | Homo sapiens (human) |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | An inhibitor of nuclear factor kappa-B kinase subunit epsilon that is encoded in the genome of human. [PMID:10882136, PMID:17327220, PRO:CNA, UniProtKB:Q14164] | Homo sapiens (human) |
| Kelch-like ECH-associated protein 1 | A kelch-like ECH-associated protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14145] | Homo sapiens (human) |
| cGMP-dependent protein kinase 1 | A cGMP-dependent protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13976] | Homo sapiens (human) |
| Protein-tyrosine kinase 6 | A protein-tyrosine kinase 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13882] | Homo sapiens (human) |
| Bleomycin hydrolase | A bleomycin hydrolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13867] | Homo sapiens (human) |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | A dual specificity tyrosine-phosphorylation-regulated kinase 1A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13627] | Homo sapiens (human) |
| Stromal interaction molecule 1 | A stromal interaction molecule 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13586] | Homo sapiens (human) |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | A calcium/calmodulin-dependent protein kinase type II subunit delta that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13557] | Homo sapiens (human) |
| Calcium/calmodulin-dependent protein kinase type II subunit gamma | A calcium/calmodulin-dependent protein kinase type II subunit gamma that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13555] | Homo sapiens (human) |
| Calcium/calmodulin-dependent protein kinase type II subunit beta | A calcium/calmodulin-dependent protein kinase type II subunit beta that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13554] | Homo sapiens (human) |
| Receptor-interacting serine/threonine-protein kinase 1 | A receptor-interacting serine/threonine-protein kinase 1 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Baculoviral IAP repeat-containing protein 2 | A baculoviral IAP repeat-containing protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13490] | Homo sapiens (human) |
| C-terminal-binding protein 1 | A C-terminal-binding protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13363] | Homo sapiens (human) |
| Serine-protein kinase ATM | A serine-protein kinase ATM that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
| S-phase kinase-associated protein 2 | An S-phase kinase-associated protein 2 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| cGMP-dependent protein kinase 2 | A cGMP-dependent protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13237] | Homo sapiens (human) |
| Serine/threonine-protein kinase 3 | A serine/threonine-protein kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13188] | Homo sapiens (human) |
| Serine/threonine-protein kinase PAK 2 | A serine/threonine-protein kinase PAK 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13177] | Homo sapiens (human) |
| TAR DNA-binding protein 43 | A TAR DNA-binding protein 43 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13148] | Homo sapiens (human) |
| Protein Red | A protein Red that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13123] | Homo sapiens (human) |
| Ubiquitin carboxyl-terminal hydrolase 4 | A ubiquitin carboxyl-terminal hydrolase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13107] | Homo sapiens (human) |
| Acetyl-CoA carboxylase 1 | An acetyl-CoA carboxylase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13085] | Homo sapiens (human) |
| Serine/threonine-protein kinase 4 | A serine/threonine-protein kinase 4 that is encoded in the genome of human. [PMID:20171103, PRO:KER] | Homo sapiens (human) |
| Glutamate receptor ionotropic, kainate 2 | A glutamate receptor ionotropic, kainate 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13002] | Homo sapiens (human) |
| Prolyl endopeptidase FAP | A prolyl endopeptidase FAP that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12884] | Homo sapiens (human) |
| Potassium voltage-gated channel subfamily H member 2 | A voltage-gated potassium channel KCNH2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q12809] | Homo sapiens (human) |
| Quinone oxidoreductase | A quinone oxidoreductase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q08257] | Homo sapiens (human) |
| Activated CDC42 kinase 1 | An activated CDC42 kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07912] | Homo sapiens (human) |
| Bcl-2-like protein 1 | A Bcl-2-like protein 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q07817] | Homo sapiens (human) |
| Apoptosis regulator BAX | An apoptosis regulator BAX that is encoded in the genome of human. [PRO:SY, UniProtKB:Q07812] | Homo sapiens (human) |
| Early activation antigen CD69 | A CD69 molecule that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q07108] | Homo sapiens (human) |
| Peroxiredoxin-1 | A peroxiredoxin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q06830] | Homo sapiens (human) |
| DNA repair protein RAD51 homolog 1 | A DNA repair protein RAD51 homolog 1 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Aldehyde oxidase | An aldehyde oxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q06278] | Homo sapiens (human) |
| Tyrosine-protein kinase BTK | A tyrosine-protein kinase BTK that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q06187] | Homo sapiens (human) |
| Dynamin-1 | A dynamin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05193] | Homo sapiens (human) |
| 14-3-3 protein eta | A 14-3-3 protein eta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04917] | Homo sapiens (human) |
| Transcription factor p65 | A transcription factor p65 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Histone-lysine N-methyltransferase 2A | A histone-lysine N-methyltransferase 2A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q03164] | Homo sapiens (human) |
| Angiopoietin-1 receptor | An angiopoietin-1 receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q02763] | Homo sapiens (human) |
| RNA-binding protein EWS | An RNA-binding protein EWS that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01844] | Homo sapiens (human) |
| Fatty acid-binding protein 5 | A fatty acid-binding protein 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01469] | Homo sapiens (human) |
| E3 ubiquitin-protein ligase Mdm2 | An E3 ubiquitin-protein ligase Mdm2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00987] | Homo sapiens (human) |
| Sorbitol dehydrogenase | A sorbitol dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00796] | Homo sapiens (human) |
| Heat shock factor protein 1 | A heat shock factor protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00613] | Homo sapiens (human) |
| E3 ubiquitin-protein ligase XIAP | A baculoviral IAP repeat-containing protein 4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P98170] | Homo sapiens (human) |
| 4-aminobutyrate aminotransferase, mitochondrial | A 4-aminobutyrate aminotransferase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P80404] | Homo sapiens (human) |
| Casein kinase II subunit alpha | A casein kinase II subunit alpha that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Casein kinase II subunit beta | A casein kinase II subunit beta that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| 14-3-3 protein zeta/delta | A 14-3-3 protein zeta/delta that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Growth factor receptor-bound protein 2 | A growth factor receptor-bound protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62993] | Homo sapiens (human) |
| 26S proteasome regulatory subunit 10B | A 26S proteasome regulatory subunit 10B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62333] | Homo sapiens (human) |
| 14-3-3 protein gamma | A 14-3-3 protein gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61981] | Homo sapiens (human) |
| Protein max | A protein max that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
| Cell division control protein 42 homolog | A cell division control protein 42 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P60953] | Homo sapiens (human) |
| Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | A phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN that is encoded in the genome of human. [PRO:PD, UniProtKB:P60484] | Homo sapiens (human) |
| Protein Wnt-3a | A protein Wnt-3a that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56704] | Homo sapiens (human) |
| Histone deacetylase 4 | A histone deacetylase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56524] | Homo sapiens (human) |
| Caspase-6 | A caspase-6 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P55212] | Homo sapiens (human) |
| Transitional endoplasmic reticulum ATPase | A transitional endoplasmic reticulum ATPase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P55072] | Homo sapiens (human) |
| 26S proteasome non-ATPase regulatory subunit 4 | A 26S proteasome non-ATPase regulatory subunit 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P55036] | Homo sapiens (human) |
| Ephrin type-A receptor 4 | An ephrin type-A receptor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54764] | Homo sapiens (human) |
| Bloom syndrome protein | A RecQ-like DNA helicase BLM that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54132] | Homo sapiens (human) |
| Monocarboxylate transporter 1 | A monocarboxylate transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53985] | Homo sapiens (human) |
| Dipeptidyl peptidase 1 | A dipeptidyl peptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53634] | Homo sapiens (human) |
| Death-associated protein kinase 1 | A death-associated protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53355] | Homo sapiens (human) |
| Serine/threonine-protein kinase PLK1 | A serine/threonine-protein kinase PLK1 that is encoded in the genome of human. [PMID:16129782, PMID:16580887, PMID:16760428, PMID:17376779, PMID:20624902, PMID:20823832, PRO:KER] | Homo sapiens (human) |
| Serine/threonine-protein phosphatase 5 | A serine/threonine-protein phosphatase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53041] | Homo sapiens (human) |
| Signal transducer and activator of transcription 5B | A signal transducer and activator of transcription 5b that is encoded in the genome of human. [PRO:WCB, UniProtKB:P51692] | Homo sapiens (human) |
| C-C chemokine receptor type 5 | A C-C chemokine receptor type 5 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P51681] | Homo sapiens (human) |
| Succinate-semialdehyde dehydrogenase, mitochondrial | A succinate-semialdehyde dehydrogenase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51649] | Homo sapiens (human) |
| Interleukin-1 receptor-associated kinase 1 | An interleukin-1 receptor-associated kinase 1 that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
| P2X purinoceptor 1 | A P2X purinoceptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51575] | Homo sapiens (human) |
| Carnitine O-palmitoyltransferase 1, liver isoform | A carnitine O-palmitoyltransferase 1, liver isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50416] | Homo sapiens (human) |
| Bis(5'-adenosyl)-triphosphatase | A bis(5-adenosyl)-triphosphatase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49789] | Homo sapiens (human) |
| Dual specificity protein kinase CLK3 | A dual specificity protein kinase CLK3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49761] | Homo sapiens (human) |
| Dual specificity protein kinase CLK2 | A dual specificity protein kinase CLK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49760] | Homo sapiens (human) |
| Very long-chain specific acyl-CoA dehydrogenase, mitochondrial | A very long-chain specific acyl-CoA dehydrogenase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49748] | Homo sapiens (human) |
| Cysteine--tRNA ligase, cytoplasmic | A cysteine--tRNA ligase, cytoplasmic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49589] | Homo sapiens (human) |
| Choline-phosphate cytidylyltransferase A | A choline-phosphate cytidylyltransferase A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49585] | Homo sapiens (human) |
| Deoxyhypusine synthase | A deoxyhypusine synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49366] | Homo sapiens (human) |
| Tryptophan 2,3-dioxygenase | A tryptophan 2,3-dioxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48775] | Homo sapiens (human) |
| Sodium/hydrogen exchanger 3 | A sodium/hydrogen exchanger 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48764] | Homo sapiens (human) |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | A phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48736] | Homo sapiens (human) |
| Neurogenic locus notch homolog protein 1 | A neurogenic locus notch homolog protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46531] | Homo sapiens (human) |
| 5-hydroxytryptamine receptor 3A | A 5-hydroxytryptamine receptor 3A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46098] | Homo sapiens (human) |
| Nicotinamide phosphoribosyltransferase | A nicotinamide phosphoribosyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43490] | Homo sapiens (human) |
| DNA repair protein RAD52 homolog | A DNA repair protein RAD52 homolog that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Excitatory amino acid transporter 3 | An excitatory amino acid transporter 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43005] | Homo sapiens (human) |
| Huntingtin | A huntingtin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42858] | Homo sapiens (human) |
| Caspase-2 | A caspase-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P42575] | Homo sapiens (human) |
| Serine/threonine-protein kinase mTOR | A serine/threonine-protein kinase mTOR that is encoded in the genome of human. [PRO:CL, UniProtKB:P42345] | Homo sapiens (human) |
| Glutamate receptor 1 | A glutamate receptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42261] | Homo sapiens (human) |
| Signal transducer and activator of transcription 6 | A signal transducer and activator of transcription 6 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P42226] | Homo sapiens (human) |
| Signal transducer and activator of transcription 1-alpha/beta | A signal transducer and activator of transcription 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P42224] | Homo sapiens (human) |
| C-C chemokine receptor type 2 | A C-C chemokine receptor type 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P41597] | Homo sapiens (human) |
| Metabotropic glutamate receptor 5 | A metabotropic glutamate receptor 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41594] | Homo sapiens (human) |
| Glycine--tRNA ligase | A glycine--tRNA ligase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41250] | Homo sapiens (human) |
| Tyrosine-protein kinase CSK | A tyrosine-protein kinase CSK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41240] | Homo sapiens (human) |
| B-cell lymphoma 6 protein | A B-cell lymphoma 6 protein that is encoded in the genome of human. [PRO:CNA, UniProtKB:P41182] | Homo sapiens (human) |
| Signal transducer and activator of transcription 3 | A signal transducer and activator of transcription 3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P40763] | Homo sapiens (human) |
| Interleukin-6 receptor subunit beta | An interleukin-6 receptor subunit beta that is encoded in the genome of human. [PRO:WCB, UniProtKB:P40189] | Homo sapiens (human) |
| 40S ribosomal protein S19 | A small ribosomal subunit protein eS19 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P39019] | Homo sapiens (human) |
| Breast cancer type 1 susceptibility protein | A breast cancer type 1 susceptibility protein that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Alpha-synuclein | An alpha-synuclein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37840] | Homo sapiens (human) |
| Peroxisome proliferator-activated receptor gamma | A peroxisome proliferator-activated receptor gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37231] | Homo sapiens (human) |
| Phospholipid hydroperoxide glutathione peroxidase | A phospholipid hydroperoxide glutathione peroxidase GPX4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36969] | Homo sapiens (human) |
| Lon protease homolog, mitochondrial | A Lon protease, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36776] | Homo sapiens (human) |
| Vascular endothelial growth factor receptor 2 | A vascular endothelial growth factor receptor 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35968] | Homo sapiens (human) |
| Myosin-9 | A myosin-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35579] | Homo sapiens (human) |
| Cystathionine beta-synthase | A cystathionine beta-synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35520] | Homo sapiens (human) |
| 60S ribosomal protein L22 | A large ribosomal subunit protein eL22 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35268] | Homo sapiens (human) |
| Serine hydroxymethyltransferase, mitochondrial | A serine hydroxymethyltransferase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P34897] | Homo sapiens (human) |
| Serine hydroxymethyltransferase, cytosolic | A serine hydroxymethyltransferase, cytosolic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P34896] | Homo sapiens (human) |
| Dual specificity protein kinase TTK | A dual specificity protein kinase TTK that is encoded in the genome of human. [PMID:20823832, PRO:KER] | Homo sapiens (human) |
| Kinesin-1 heavy chain | A kinesin-1 heavy chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P33176] | Homo sapiens (human) |
| Cystathionine gamma-lyase | A cystathionine gamma-lyase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32929] | Homo sapiens (human) |
| Pyrroline-5-carboxylate reductase 1, mitochondrial | A pyrroline-5-carboxylate reductase 1, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32322] | Homo sapiens (human) |
| Deoxycytidylate deaminase | A deoxycytidylate deaminase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32321] | Homo sapiens (human) |
| Cytidine deaminase | A cytidine deaminase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32320] | Homo sapiens (human) |
| 14-3-3 protein beta/alpha | A 14-3-3 protein beta/alpha that is encoded in the genome of human. [PRO:WCB, UniProtKB:P31946] | Homo sapiens (human) |
| RAC-alpha serine/threonine-protein kinase | A RAC-alpha serine/threonine-protein kinase that is encoded in the genome of human. [PRO:WCB, UniProtKB:P31749] | Homo sapiens (human) |
| Sodium-dependent serotonin transporter | A sodium-dependent serotonin transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31645] | Homo sapiens (human) |
| S-adenosylmethionine synthase isoform type-2 | An S-adenosylmethionine synthetase isoform type-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31153] | Homo sapiens (human) |
| Neurotensin receptor type 1 | A neurotensin receptor type 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P30989] | Homo sapiens (human) |
| Sodium- and chloride-dependent GABA transporter 1 | A sodium- and chloride-dependent GABA transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30531] | Homo sapiens (human) |
| Aquaporin-1 | An aquaporin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29972] | Homo sapiens (human) |
| Caspase-1 | A caspase-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P29466] | Homo sapiens (human) |
| Ephrin type-B receptor 2 | An ephrin type-B receptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29323] | Homo sapiens (human) |
| Adenosine receptor A2a | An adenosine receptor A2a that is encoded in the genome of human. [PRO:WCB, UniProtKB:P29274] | Homo sapiens (human) |
| Gap junction beta-2 protein | A gap junction beta-2 protein that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | An ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P28907] | Homo sapiens (human) |
| Receptor-type tyrosine-protein phosphatase mu | A receptor-type tyrosine-protein phosphatase mu that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28827] | Homo sapiens (human) |
| Mitogen-activated protein kinase 1 | A mitogen-activated protein kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P28482] | Homo sapiens (human) |
| Gamma-aminobutyric acid receptor subunit beta-3 | A gamma-aminobutyric acid receptor subunit beta-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28472] | Homo sapiens (human) |
| 5-hydroxytryptamine receptor 2C | A 5-hydroxytryptamine receptor 2C that is encoded in the genome of human. [PRO:WCB, UniProtKB:P28335] | Homo sapiens (human) |
| 5-hydroxytryptamine receptor 2A | A 5-hydroxytryptamine receptor 2A that is encoded in the genome of human. [PRO:WCB, UniProtKB:P28223] | Homo sapiens (human) |
| CAD protein | A multifunctional protein CAD that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27708] | Homo sapiens (human) |
| Dipeptidyl peptidase 4 | A dipeptidyl peptidase 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P27487] | Homo sapiens (human) |
| Mitogen-activated protein kinase 3 | A mitogen-activated protein kinase 3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P27361] | Homo sapiens (human) |
| 14-3-3 protein theta | A 14-3-3 protein theta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27348] | Homo sapiens (human) |
| Amine oxidase [flavin-containing] B | An amine oxidase [flavin-containing] B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27338] | Homo sapiens (human) |
| Protein S100-A4 | A protein S100-A4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26447] | Homo sapiens (human) |
| NF-kappa-B inhibitor alpha | An NF-kappa-B inhibitor alpha that is encoded in the genome of human. [TLR:AMM, UniProtKB:P25963] | Homo sapiens (human) |
| Alpha-1D adrenergic receptor | An alpha-1D adrenergic receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P25100] | Homo sapiens (human) |
| Cyclin-C | A cyclin-C that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24863] | Homo sapiens (human) |
| Insulin-like growth factor-binding protein 6 | An insulin-like growth factor-binding protein 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24592] | Homo sapiens (human) |
| Gamma-aminobutyric acid receptor subunit rho-1 | A gamma-aminobutyric acid receptor subunit rho-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24046] | Homo sapiens (human) |
| Ribonucleoside-diphosphate reductase large subunit | A ribonucleoside-diphosphate reductase large subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23921] | Homo sapiens (human) |
| Receptor-type tyrosine-protein phosphatase gamma | A receptor-type tyrosine-protein phosphatase gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23470] | Homo sapiens (human) |
| Ribosomal protein S6 kinase beta-1 | A ribosomal protein S6 kinase beta-1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P23443] | Homo sapiens (human) |
| Lutropin-choriogonadotropic hormone receptor | A lutropin-choriogonadotropic hormone receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P22888] | Homo sapiens (human) |
| Ferrochelatase, mitochondrial | A ferrochelatase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22830] | Homo sapiens (human) |
| Nuclear receptor subfamily 4 group A member 1 | A nuclear receptor subfamily 4 immunity group A member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22736] | Homo sapiens (human) |
| Fibroblast growth factor receptor 3 | A fibroblast growth factor receptor 3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P22607] | Homo sapiens (human) |
| Multifunctional protein ADE2 | A bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22234] | Homo sapiens (human) |
| D(4) dopamine receptor | A D(4) dopamine receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21917] | Homo sapiens (human) |
| Receptor tyrosine-protein kinase erbB-3 | A receptor tyrosine-protein kinase erbB-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21860] | Homo sapiens (human) |
| Diamine acetyltransferase 1 | A diamine acetyltransferase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21673] | Homo sapiens (human) |
| 5'-nucleotidase | A 5-nucleotidase that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21589] | Homo sapiens (human) |
| Cannabinoid receptor 1 | A cannabinoid receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21554] | Homo sapiens (human) |
| Arachidonate 5-lipoxygenase-activating protein | An arachidonate 5-lipoxygenase-activating protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20292] | Homo sapiens (human) |
| Nuclear factor NF-kappa-B p105 subunit | A nuclear factor NF-kappa-B p105 subunit that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Retinoic acid receptor RXR-alpha | A retinoic acid receptor RXR-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19793] | Homo sapiens (human) |
| Sodium/hydrogen exchanger 1 | A sodium/hydrogen exchanger 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19634] | Homo sapiens (human) |
| Spermidine synthase | A spermidine synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19623] | Homo sapiens (human) |
| Interferon-induced, double-stranded RNA-activated protein kinase | An interferon-induced, double-stranded RNA-activated protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19525] | Homo sapiens (human) |
| Cyclic AMP-dependent transcription factor ATF-1 | A cyclic AMP-dependent transcription factor ATF-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18846] | Homo sapiens (human) |
| 60S ribosomal protein L7 | A eukaryotic-type large ribosomal subunit protein uL30 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18124] | Homo sapiens (human) |
| 26S proteasome regulatory subunit 6A | A 26S proteasome regulatory subunit 6A that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| S-adenosylmethionine decarboxylase proenzyme | A SAM decarboxylase proenzyme that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17707] | Homo sapiens (human) |
| Cyclic AMP-responsive element-binding protein 1 | A cyclic AMP-responsive element-binding protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16220] | Homo sapiens (human) |
| Transcription factor 4 | A transcription factor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15884] | Homo sapiens (human) |
| Vascular endothelial growth factor A | A vascular endothelial growth factor A, long form that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15692] | Homo sapiens (human) |
| NAD | An NAD(P)H dehydrogenase [quinone] 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15559] | Homo sapiens (human) |
| Nucleoside diphosphate kinase A | A nucleoside diphosphate kinase A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15531] | Homo sapiens (human) |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | A 15-hydroxyprostaglandin dehydrogenase [NAD(+)] that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15428] | Homo sapiens (human) |
| Ezrin | An ezrin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P15311] | Homo sapiens (human) |
| Glutamine synthetase | A glutamine synthetase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15104] | Homo sapiens (human) |
| Serine/threonine-protein kinase B-raf | A B-Raf proto-oncogene serine/threonine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15056] | Homo sapiens (human) |
| D-amino-acid oxidase | A D-amino-acid oxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14920] | Homo sapiens (human) |
| Matrix metalloproteinase-9 | A matrix metalloproteinase-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14780] | Homo sapiens (human) |
| Tyrosinase | A tyrosinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14679] | Homo sapiens (human) |
| D(2) dopamine receptor | A D(2) dopamine receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P14416] | Homo sapiens (human) |
| Macrophage migration inhibitory factor | A macrophage migration inhibitory factor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14174] | Homo sapiens (human) |
| Cathepsin E | A cathepsin E that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14091] | Homo sapiens (human) |
| Delta-aminolevulinic acid dehydratase | A delta-aminolevulinic acid dehydratase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13716] | Homo sapiens (human) |
| Prolyl 4-hydroxylase subunit alpha-1 | A prolyl 4-hydroxylase subunit alpha-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13674] | Homo sapiens (human) |
| Cadherin-1 | A cadherin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P12830] | Homo sapiens (human) |
| Proliferating cell nuclear antigen | A proliferating cell nuclear antigen that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Alcohol dehydrogenase class-3 | An alcohol dehydrogenase class-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11766] | Homo sapiens (human) |
| Glucose-6-phosphate 1-dehydrogenase | A glucose-6-phosphate 1-dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11413] | Homo sapiens (human) |
| Fibroblast growth factor receptor 1 | A fibroblast growth factor receptor 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P11362] | Homo sapiens (human) |
| Solute carrier family 2, facilitated glucose transporter member 1 | A solute carrier family 2, facilitated glucose transporter member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11166] | Homo sapiens (human) |
| Islet amyloid polypeptide | An islet amyloid polypeptide that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10997] | Homo sapiens (human) |
| Microtubule-associated protein tau | A microtubule-associated protein tau that is encoded in the genome of human. [PRO:DAN] | Homo sapiens (human) |
| Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial | A dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10515] | Homo sapiens (human) |
| Apoptosis regulator Bcl-2 | An apoptosis regulator Bcl-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P10415] | Homo sapiens (human) |
| Poly [ADP-ribose] polymerase 1 | A poly [ADP-ribose] polymerase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09874] | Homo sapiens (human) |
| Complement C1s subcomponent | A complement C1s subcomponent that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09871] | Homo sapiens (human) |
| Fructose-1,6-bisphosphatase 1 | A fructose-1,6-bisphosphatase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09467] | Homo sapiens (human) |
| Fibroblast growth factor 2 | A fibroblast growth factor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09038] | Homo sapiens (human) |
| Hepatocyte growth factor receptor | A hepatocyte growth factor receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08581] | Homo sapiens (human) |
| Integrin alpha-IIb | An integrin alpha-IIb that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08514] | Homo sapiens (human) |
| Heat shock protein HSP 90-beta | A heat shock protein HSP 90-beta that is encoded in the genome of human. [PRO:DAN] | Homo sapiens (human) |
| Insulin-like growth factor 1 receptor | An insulin-like growth factor 1 receptor that is encoded in the genome of human. [PRO:JAN, UniProtKB:P08069] | Homo sapiens (human) |
| Heat shock protein HSP 90-alpha | A heat shock protein HSP 90-alpha that is encoded in the genome of human. [PRO:DAN] | Homo sapiens (human) |
| Bifunctional glutamate/proline--tRNA ligase | A bifunctional glutamate/proline--tRNA ligase that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Beta-hexosaminidase subunit beta | A beta-hexosaminidase subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07686] | Homo sapiens (human) |
| Beta-2 adrenergic receptor | A beta-2 adrenergic receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P07550] | Homo sapiens (human) |
| Annexin A2 | An annexin A2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07355] | Homo sapiens (human) |
| Asialoglycoprotein receptor 1 | An asialoglycoprotein receptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07306] | Homo sapiens (human) |
| L-lactate dehydrogenase B chain | An L-lactate dehydrogenase B chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07195] | Homo sapiens (human) |
| Glycogen phosphorylase, liver form | A glycogen phosphorylase, liver form that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06737] | Homo sapiens (human) |
| Progesterone receptor | A progesterone receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06401] | Homo sapiens (human) |
| Retinoblastoma-associated protein | A retinoblastoma-associated protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06400] | Homo sapiens (human) |
| Cholinesterase | A cholinesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06276] | Homo sapiens (human) |
| Tyrosine-protein kinase Fyn | A tyrosine-protein kinase Fyn that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06241] | Homo sapiens (human) |
| Tyrosine-protein kinase Lck | A tyrosine-protein kinase Lck that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Transcription factor AP-1 | A transcription factor Jun that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05412] | Homo sapiens (human) |
| Integrin beta-3 | An integrin beta-3 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Amyloid-beta precursor protein | An amyloid-beta precursor protein that is encoded in the genome of human. [PRO:DAN] | Homo sapiens (human) |
| Heat shock protein beta-1 | A heat shock protein beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04792] | Homo sapiens (human) |
| Cellular tumor antigen p53 | A cellular tumor antigen p53 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P04637] | Homo sapiens (human) |
| High affinity nerve growth factor receptor | A high affinity nerve growth factor receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04629] | Homo sapiens (human) |
| Receptor tyrosine-protein kinase erbB-2 | A receptor tyrosine-protein kinase erbB-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P04626] | Homo sapiens (human) |
| Glyceraldehyde-3-phosphate dehydrogenase | A glyceraldehyde-3-phosphate dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04406] | Homo sapiens (human) |
| Protein S100-B | A protein S100-B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04271] | Homo sapiens (human) |
| HLA class II histocompatibility antigen gamma chain | An MHC class II histocompatibility antigen gamma chain that is encoded in the genome of human. [PRO:WCB, UniProtKB:P04233] | Homo sapiens (human) |
| Thymidine kinase, cytosolic | A thymidine kinase, cytosolic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04183] | Homo sapiens (human) |
| Major prion protein | A PRNP gene translation product (human) that is encoded by the major prion protein open reading frame, as opposed to the alternate reading frame. [PRO:DAN] | Homo sapiens (human) |
| Glucocorticoid receptor | A glucocorticoid receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04150] | Homo sapiens (human) |
| RAF proto-oncogene serine/threonine-protein kinase | A RAF proto-oncogene serine/threonine-protein kinase that is encoded in the genome of human. [PMID:20703093, PRO:KER] | Homo sapiens (human) |
| Estrogen receptor | An estrogen receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P03372] | Homo sapiens (human) |
| Albumin | An albumin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02768] | Homo sapiens (human) |
| Transthyretin | A transthyretin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02766] | Homo sapiens (human) |
| Fibronectin | A fibronectin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02751] | Homo sapiens (human) |
| Alpha-crystallin B chain | An alpha-crystallin B chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02511] | Homo sapiens (human) |
| T-cell surface glycoprotein CD4 | A CD4 molecule that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01730] | Homo sapiens (human) |
| Tumor necrosis factor | A tumor necrosis factor that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Low-density lipoprotein receptor | A low-density lipoprotein receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01130] | Homo sapiens (human) |
| Myc proto-oncogene protein | A c-myc protein that is encoded in the genome of human. [PRO:CNA, UniProtKB:P01106] | Homo sapiens (human) |
| Proto-oncogene c-Fos | A protein c-Fos that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01100] | Homo sapiens (human) |
| Complement C1r subcomponent | A complement C1r subcomponent that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00736] | Homo sapiens (human) |
| Epidermal growth factor receptor | An epidermal growth factor receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00533] | Homo sapiens (human) |
| Hypoxanthine-guanine phosphoribosyltransferase | A hypoxanthine-guanine phosphoribosyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00492] | Homo sapiens (human) |
| Purine nucleoside phosphorylase | A purine nucleoside phosphorylase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00491] | Homo sapiens (human) |
| Ornithine transcarbamylase, mitochondrial | An ornithine transcarbamylase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00480] | Homo sapiens (human) |
| Superoxide dismutase [Cu-Zn] | A superoxide dismutase [Cu-Zn] that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00441] | Homo sapiens (human) |
| L-lactate dehydrogenase A chain | An L-lactate dehydrogenase A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00338] | Homo sapiens (human) |
| Serine/threonine-protein kinase Chk2 | A serine/threonine-protein kinase Chk2 that is encoded in the genome of human. [OMA:O96017, PRO:DNx] | Homo sapiens (human) |
| Malonyl-CoA decarboxylase, mitochondrial | A malonyl-CoA decarboxylase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95822] | Homo sapiens (human) |
| Geranylgeranyl pyrophosphate synthase | A geranylgeranyl pyrophosphate synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95749] | Homo sapiens (human) |
| Serine/threonine-protein kinase OSR1 | A serine/threonine-protein kinase OSR1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95747] | Homo sapiens (human) |
| Mitochondrial pyruvate carrier 2 | A brain protein 44 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95563] | Homo sapiens (human) |
| Serine/threonine-protein kinase 10 | A serine/threonine-protein kinase 10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94804] | Homo sapiens (human) |
| Gamma-butyrobetaine dioxygenase | A gamma-butyrobetaine dioxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75936] | Homo sapiens (human) |
| Diacylglycerol O-acyltransferase 1 | A diacylglycerol O-acyltransferase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75907] | Homo sapiens (human) |
| Isocitrate dehydrogenase [NADP] cytoplasmic | An isocitrate dehydrogenase [NADP] cytoplasmic that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Transient receptor potential cation channel subfamily A member 1 | A transient receptor potential cation channel TRPA1 that is encoded in the genome of human. [PRO:HJD, UniProtKB:O75762] | Homo sapiens (human) |
| U5 small nuclear ribonucleoprotein 200 kDa helicase | A U5 small nuclear ribonucleoprotein 200 kDa helicase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75643] | Homo sapiens (human) |
| Ubiquitin carboxyl-terminal hydrolase 2 | A ubiquitin carboxyl-terminal hydrolase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75604] | Homo sapiens (human) |
| Polycomb protein EED | A polycomb protein EED that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75530] | Homo sapiens (human) |
| Serine/threonine-protein kinase/endoribonuclease IRE1 | A serine/threonine-protein kinase/endoribonuclease IRE1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75460] | Homo sapiens (human) |
| Serine/threonine-protein kinase ULK1 | A serine/threonine-protein kinase ULK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75385] | Homo sapiens (human) |
| 85/88 kDa calcium-independent phospholipase A2 | An 85/88 kDa calcium-independent phospholipase A2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60733] | Homo sapiens (human) |
| Tyrosine-protein kinase JAK2 | A tyrosine-protein kinase JAK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60674] | Homo sapiens (human) |
| Monocarboxylate transporter 2 | A monocarboxylate transporter 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60669] | Homo sapiens (human) |
| Toll-like receptor 2 | A Toll-like receptor 2 that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
| Protein O-GlcNAcase | A protein O-GlcNAcase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60502] | Homo sapiens (human) |
| Lysine-specific histone demethylase 1A | A lysine-specific histone demethylase 1A that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60341] | Homo sapiens (human) |
| Phosphoribosyl pyrophosphate synthase-associated protein 2 | A phosphoribosyl pyrophosphate synthase-associated protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60256] | Homo sapiens (human) |
| 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 | A 5-hydroxymethyl-dUMP N-hydrolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43598] | Homo sapiens (human) |
| Receptor-interacting serine/threonine-protein kinase 2 | A receptor-interacting serine/threonine-protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43353] | Homo sapiens (human) |
| Mitogen-activated protein kinase kinase kinase 7 | A mitogen-activated protein kinase kinase kinase 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43318] | Homo sapiens (human) |
| Death-associated protein kinase 3 | A death-associated protein kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43293] | Homo sapiens (human) |
| Mitogen-activated protein kinase kinase kinase 13 | A mitogen-activated protein kinase kinase kinase 13 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43283] | Homo sapiens (human) |
| Baculoviral IAP repeat-containing protein 5 | A baculoviral IAP repeat-containing protein 5 that is encoded in the genome of human. [PMID:12719470, PMID:15917996, PMID:20929775, PRO:KER] | Homo sapiens (human) |
| Solute carrier family 22 member 1 | A solute carrier family 22 member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15245] | Homo sapiens (human) |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | An inhibitor of nuclear factor kappa-B kinase subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14920] | Homo sapiens (human) |
| Proteasome subunit alpha type-7 | A proteasome subunit alpha type-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14818] | Homo sapiens (human) |
| Tumor necrosis factor ligand superfamily member 11 | A tumor necrosis factor ligand superfamily member 11 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14788] | Homo sapiens (human) |
| Telomerase reverse transcriptase | A telomerase reverse transcriptase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14746] | Homo sapiens (human) |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | A Na(+)/H(+) exchange regulatory cofactor NHE-RF1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O14745] | Homo sapiens (human) |
| Protein arginine N-methyltransferase 5 | A protein arginine N-methyltransferase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14744] | Homo sapiens (human) |
| Acetyl-CoA carboxylase 2 | An acetyl-CoA carboxylase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00763] | Homo sapiens (human) |
| Fatty-acid amide hydrolase 1 | A fatty-acid amide hydrolase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00519] | Homo sapiens (human) |
| Serine/threonine-protein kinase PLK4 | A serine/threonine-protein kinase PLK4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00444] | Homo sapiens (human) |
| Toll-like receptor 4 | A Toll-like receptor 4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O00206] | Homo sapiens (human) |
| Compound | Definition | Classes | Roles |
|---|---|---|---|
| dinitrochlorobenzene | 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds. | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
| 9-ethyladenine | |||
| 1,2,4-trichlorobenzene | 1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4. | trichlorobenzene | |
| alpha-ketoglutaric acid | 2-oxoglutaric acid : An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle. | oxo dicarboxylic acid | fundamental metabolite |
| alpha-ketobutyric acid | 2-oxobutanoic acid : A 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid. alpha-ketobutyric acid: RN given refers to parent cpd; structure | 2-oxo monocarboxylic acid; short-chain fatty acid | |
| 3-phenylpropionic acid | 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. 3-phenylpropionic acid: RN given refers to parent cpd | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
| gamma-aminobutyric acid | gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system. | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
| 4-hydroxybenzyl alcohol | 4-hydroxybenzyl alcohol: the aglycone of gastrodin p-hydroxybenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. | benzyl alcohols; phenols | plant metabolite |
| 4-hydroxybenzaldehyde | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite | |
| 4-hydroxyphenylacetic acid | 4-hydroxyphenylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. | monocarboxylic acid; phenols | fungal metabolite; human metabolite; mouse metabolite; plant metabolite |
| 4-hydroxybenzoic acid | 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | monohydroxybenzoic acid | algal metabolite; plant metabolite |
| aminolevulinic acid | 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS. | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
| 5-aminovaleric acid | 5-aminopentanoic acid : A delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist. 5-aminovaleric acid: from red fox anal secretion; RN given refers to parent cpd | amino acid zwitterion; delta-amino acid; omega-amino fatty acid | human metabolite |
| acetic acid | acetic acid : A simple monocarboxylic acid containing two carbons. Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed) | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
| acetaldehyde | acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
| adenine | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| adipic acid | adipic acid : An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
| agmatine | Agmatine: Decarboxylated arginine, isolated from several plant and animal sources, e.g., pollen, ergot, herring sperm, octopus muscle. | guanidines; primary amino compound | Escherichia coli metabolite; mouse metabolite |
| allantoin | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary | |
| anthranilic acid | anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565 | aminobenzoic acid | human metabolite; mouse metabolite |
| quinacrine | quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9. Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2. | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| benzaldehyde | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite | |
| benzene | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent | |
| benzoic acid | aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent. Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
| benzyl alcohol | aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents. | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
| butyraldehyde | butanals | biomarker; Escherichia coli metabolite; mouse metabolite | |
| 1-butanol | 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
| butyric acid | butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester. | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
| ureidosuccinic acid | N-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. ureidosuccinic acid: RN given refers to (DL)-isomer | aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
| aminooxyacetic acid | (aminooxy)acetic acid : A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues. Aminooxyacetic Acid: A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues. | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
| catechol | catechols | allelochemical; genotoxin; plant metabolite | |
| chlordecone | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant | |
| choline | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite | |
| citric acid, anhydrous | citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability. | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
| coumarin | 2H-chromen-2-one: coumarin derivative | coumarins | fluorescent dye; human metabolite; plant metabolite |
| cuminaldehyde | cuminaldehyde : A member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities. | benzaldehydes | insecticide; plant metabolite; volatile oil component |
| 4-vinylguaiacol | 2-methoxy-4-vinylphenol : A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. 2-methoxy-4-vinylphenol: a germination inhibitor; also an odorant in green tea; structure in first source | phenols | flavouring agent; pheromone; plant metabolite |
| 2-cresol | 2-cresol: RN given refers to parent cpd o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | cresol | human xenobiotic metabolite |
| salicylic acid | Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
| 3-methylcatechol | 3-methylbenzene-1,2-diol: structure in first source 3-methylcatechol : A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples. dihydroxytoluene : Any hydroxytoluene that has two hydroxy substituents | methylcatechol | bacterial xenobiotic metabolite |
| 4-hydroxyphenylglyoxylic acid | 4-hydroxyphenylglyoxylate : Conjugate base of 4-hydroxyphenylglyoxylic acid. 4-hydroxyphenylglyoxylic acid: RN given refers to parent cpd | phenols | |
| 2,3-diaminopropionic acid | 3-aminoalanine : A diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. | alanine derivative; amino acid zwitterion; beta-amino acid; diamino acid; non-proteinogenic alpha-amino acid | Escherichia coli metabolite |
| gallic acid | gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
| octanoic acid | octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
| 4-aminophenol | 4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. 4-aminophenol: RN given refers to parent cpd | aminophenol | allergen; metabolite |
| bupropion | bupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE. | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
| guaiacol | guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747) methylcatechol : Any member of the class of catechols carrying one or more methyl substituents. | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
| [3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium | acylcholine | ||
| hippuric acid | hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591 N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl. | N-acylglycine | human blood serum metabolite; uremic toxin |
| taxifolin | 3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone | ||
| 2-keto-4-methylthiobutyric acid | 2-keto-4-methylthiobutyric acid: RN given refers to parent cpd; structure 4-methylthio-2-oxobutanoic acid : A 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase. | omega-(methylthio)-2-oxocarboxylic acid | |
| propionaldehyde | propanal : An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals. propionaldehyde: may cause respiratory irritation; RN given refers to parent cpd; structure | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
| fosmidomycin | fosmidomycin : Propylphosphonic acid in which one of the hydrogens at position 3 is substituted by a formyl(hydroxy)amino group. An antibiotic obtained from Streptomyces lavendulae, it specifically inhibits DXP reductoisomerase (EC 1.1.1.267), a key enzyme in the non-mevalonate pathway of isoprenoid biosynthesis. fosmidomycin: from Streptomyces lavendulae; RN given refers to parent cpd; structure in second source | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
| alanylalanine | alanylalanine: RN given refers to (DL)-isomer | dipeptide | |
| lactic acid | 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed) | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
| diacetyl | butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
| 1,4-dihydroxy-2-naphthoic acid | dihydroxy monocarboxylic acid; naphthalenediols; naphthohydroquinone; naphthoic acid | Escherichia coli metabolite | |
| hexachlorocyclohexane | beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane. Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer. | chlorocyclohexane | |
| glutaric acid | glutaric acid : An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid. glutaric acid: RN given refers to parent cpd | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | Daphnia magna metabolite; human metabolite |
| glycine | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical | |
| glycerol | Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil. | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
| glyoxylic acid | glyoxylic acid : A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom. glyoxylic acid: RN given refers to parent cpd | 2-oxo monocarboxylic acid; aldehydic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| histamine | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter | |
| hydroquinone | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent | |
| hydroxylamine | amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
| indole | indole; polycyclic heteroarene | Escherichia coli metabolite | |
| dihydroxyphenylalanine | Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
| thyroxine | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine; non-proteinogenic alpha-amino acid; tyrosine derivative | mitogen | |
| lipoamide | Lipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resin | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| thioctic acid | Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS. | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
| malonic acid | dicarboxylic acid : Any carboxylic acid containing two carboxy groups. malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. | alpha,omega-dicarboxylic acid | human metabolite |
| inositol | 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction. inositol : Any cyclohexane-1,2,3,4,5,6-hexol. Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | cyclitol; hexol | |
| melatonin | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger | |
| naringenin | 4'-hydroxyflavanones; trihydroxyflavanone | ||
| niacinamide | nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
| niacin | Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
| 3-(1-methylpyrrolidin-2-yl)pyridine | 3-(1-methylpyrrolidin-2-yl)pyridine : An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. | N-alkylpyrrolidine; pyridine alkaloid; pyrrolidine alkaloid | |
| oxamic acid | oxamic acid : A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. Oxamic Acid: Amino-substituted glyoxylic acid derivative. | dicarboxylic acid monoamide | Escherichia coli metabolite |
| 4-aminobenzoic acid | 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group. 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid. | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
| 4-hydroxyphenylpyruvic acid | 4-hydroxyphenylpyruvic acid : A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. 4-hydroxyphenylpyruvic acid: RN given refers to parent cpd | 2-oxo monocarboxylic acid; phenols | human metabolite |
| 4-nitrophenol | 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. 4-nitrophenol: RN given refers to parent cpd mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position. | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
| palmitic acid | hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
| pentachlorophenol | PENTA: structure given in first source | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
| phenylacetic acid | phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
| phenethylamine | 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position. phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
| phosphoric acid | phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. phosphoric acid: concise etchant is 37% H3PO4 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
| phthalic acid | phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178 | benzenedicarboxylic acid | human xenobiotic metabolite |
| porphobilinogen | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite | |
| diphosphoric acid | diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid. | acyclic phosphorus acid anhydride; phosphorus oxoacid | Escherichia coli metabolite |
| propylene glycol | propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
| putrescine | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite | |
| pyridoxal | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| pyridoxal phosphate | pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal. Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE). | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| pyrogallol | benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | benzenetriol; phenolic donor | plant metabolite |
| pyruvic acid | pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis. Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed) | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
| quinolinic acid | pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS. | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
| carbocysteine | |||
| sarcosine | cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis | N-alkylglycine; N-alkylglycine zwitterion; N-methyl-amino acid; N-methylglycines | Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite |
| selenious acid | Selenious Acid: A selenium compound with the molecular formula H2SO3. It used as a source of SELENIUM, especially for patients that develop selenium deficiency following prolonged PARENTERAL NUTRITION. | selenium oxoacid | |
| spermine | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent | |
| succinic acid | succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851) | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
| taurine | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite | |
| tetramethylene sulfoxide | tetrahydrothiophenes | ||
| thiamine | thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively. | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| tryptophan | alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid | Daphnia magna metabolite | |
| tryptamine | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite | |
| uracil | 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
| uric acid | 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. uric acid : An oxopurine that is the final oxidation product of purine metabolism. Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN. | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
| vanillin | Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
| xanthine | 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. | xanthine | Saccharomyces cerevisiae metabolite |
| catechin | hydroxyflavan | ||
| 7-hydroxy-2-n,n-dipropylaminotetralin | 7-hydroxy-2-N,N-dipropylaminotetralin: RN given refers to cpd without isomeric designation | tetralins | |
| 8-hydroxy-2-(di-n-propylamino)tetralin | 8-Hydroxy-2-(di-n-propylamino)tetralin: A serotonin 1A-receptor agonist that is used experimentally to test the effects of serotonin. 8-OH-DPAT : A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies. | non-proteinogenic alpha-amino acid | |
| alpha-methyl-4-carboxyphenylglycine | |||
| 4-iodo-2,5-dimethoxyphenylisopropylamine | 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine : An organoiodine compound that is amphetamine bearing two methoxy substituents at positions 2 and 5 as well as an iodo substituent at position 4. 4-iodo-2,5-dimethoxyphenylisopropylamine: RN given refers to unlabeled parent cpd without isomeric designation; a serotonin agonist | amphetamines; dimethoxybenzene; organoiodine compound | |
| ibotenic acid | Ibotenic Acid: A neurotoxic isoxazole (similar to KAINIC ACID and MUSCIMOL) found in AMANITA mushrooms. It causes motor depression, ataxia, and changes in mood, perceptions and feelings, and is a potent excitatory amino acid agonist. | non-proteinogenic alpha-amino acid | neurotoxin |
| b 844-39 | diarylmethane | ||
| octoclothepine | octoclothepine: major tranquilizer with action similar to those of the phenothiazines; used in schizophrenic & manic psychoses; minor decriptor (77-86); on-line & INDEX MEDICUS search DIBENZOTHIEPINS (77-86); RN given refers to parent cpd without isomeric designation | dibenzothiepine | |
| 2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin | 2-(N-phenethyl-N-propyl)amino-5-hydroxytetralin: potent, specific D2 dopamine receptor agonist; RN given refers to parent cpd | tetralins | |
| sk&f-38393 | 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8. 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine: A selective D1 dopamine receptor agonist used primarily as a research tool. SKF 38393 : A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393 | benzazepine; catechols; secondary amino compound | |
| huperzine a | huperzine A : A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease. huperzine A: RN given refers to 5R-(5alpha,9beta,11E)-isomer; structure given in first source | quinolone | |
| menthol | Menthol: A monoterpene cyclohexanol produced from mint oils. | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
| 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | catechin | ||
| 2-(6-methoxy-2-naphthalenyl)propanoic acid | naphthalenes | ||
| 1,10-phenanthroline | 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| 1,3-diethyl-8-phenylxanthine | 1,3-diethyl-8-phenylxanthine: structure given in first source | ||
| 1,3-dipropyl-8-cyclopentylxanthine | DPCPX : An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group. | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| 1,3-dipropyl-8-(4-sulfophenyl)xanthine | 1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist | ||
| s,s'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea | S,S'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea: structure in first source | ||
| bw 284 c 51 | |||
| 1,5-dihydroxyisoquinoline | 1,5-dihydroxyisoquinoline: structure in first source isoquinoline-1,5-diol : An isoquinolinol that is isoquinoline in which the hydrogens at positions 1 and 5 are replaced by hydroxy groups. | isoquinolinol | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| 1-(1-naphthyl)piperazine | 1-(1-naphthyl)piperazine: serotonin agonist; structure given in first source | N-arylpiperazine | |
| pk 11195 | PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
| 1-(2-methoxyphenyl)piperazine | 1-(2-methoxyphenyl)piperazine: RN given refers to parent cpd | piperazines | |
| 1-(3-chlorophenyl)biguanide | 1-(3-chlorophenyl)biguanide: RN given refers to parent cp; a 5-HT3 receptor agonist | biguanides; monochlorobenzenes | |
| 1-(3-chlorophenyl)piperazine | 1-(3-chlorophenyl)piperazine : A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone. 1-(3-chlorophenyl)piperazine: supposed metabolite of TRAZODONE; RN given refers to parent cpd; structure | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
| 1-anilino-8-naphthalenesulfonate | 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
| 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine: A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease. | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
| edelfosine | 1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively. edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine. edelfosine: RN given refers to parent cpd | glycerophosphocholine | |
| pd 173074 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
| hoe 33342 | BXI-72: structure in first source | bibenzimidazole; N-methylpiperazine | fluorochrome |
| 2,2'-dipyridyl | 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. 2,2'-Dipyridyl: A reagent used for the determination of iron. | bipyridine | chelator; ferroptosis inhibitor |
| 2,4,6-tribromophenol | bromophenol | environmental contaminant; fungicide; marine metabolite | |
| 4-(2,4-dichlorophenoxy)butyric acid | 2,4-DB : A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide. 4-(2,4-dichlorophenoxy)butyric acid: structure | aromatic ether; monocarboxylic acid; organochlorine compound | agrochemical; phenoxy herbicide; synthetic auxin |
| 2,4-dinitrophenol | 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions. 2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed) dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents. | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
| gw 2433 | GW 2433: binds peroxisome proliferator-activated receptor alpha (PPARalpha); structure in first source | ||
| 2-methyl-5-ht | 2-methyl-5-HT: M-receptor agonist | tryptamines | serotonergic agonist |
| monomethylpropion | 2-methylamino-1-phenylpropan-1-one : An aromatic ketone that is propiophenone in which the hydrogen alpha- to the keto group has been replaced by a methylamino group. methcathinone : A racemate comprising equal amounts of (R)- and (S)-methcathinone. monomethylpropion: metabolite of dimethylpropion; structure given in first source | aromatic ketone; secondary amino compound | |
| 2-aminoethoxydiphenyl borate | 2-aminoethoxydiphenyl borate: is a novel membrane-penetrable modulator and transient receptor potential channel blocker; structure in first source; do not confuse with 2-APB cpd 2-aminoethoxydiphenylborane : An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group. | organoboron compound; primary amino compound | calcium channel blocker; IP3 receptor antagonist; potassium channel opener |
| 3,4-dichloroisocoumarin | 3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor. | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
| 3,4-methylenedioxyamphetamine | 3,4-Methylenedioxyamphetamine: An amphetamine derivative that inhibits uptake of catecholamine neurotransmitters. It is a hallucinogen. It is less toxic than its methylated derivative but in sufficient doses may still destroy serotonergic neurons and has been used for that purpose experimentally. | benzodioxoles | |
| n-methyl-3,4-methylenedioxyamphetamine | 3,4-methylenedioxymethamphetamine : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5. N-Methyl-3,4-methylenedioxyamphetamine: An N-substituted amphetamine analog. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. It is commonly referred to as MDMA or ecstasy. | amphetamines; benzodioxoles | neurotoxin |
| 3-aminobenzamide | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | |
| tramiprosate | 3-aminopropanesulfonic acid : An amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid. tramiprosate: GABA receptor agonist and a glycosaminoglycan mimetic; has nootropic acitivity; structure; a sulfonate analog of GABA | amino sulfonic acid; zwitterion | algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent |
| 3-methylcholanthrene | 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. Methylcholanthrene: A carcinogen that is often used in experimental cancer studies. | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
| enprofylline | enprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
| 3-nitropropionic acid | 3-nitropropanoic acid : A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. 3-nitropropionic acid: succinate dehydrogenase inactivator; biosynthesized by FABACEAE plants from ASPARAGINE | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
| 4'-bromoflavone | 4'-bromoflavone: structure in first source | ||
| 3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane | diarylmethane | ||
| ro 5-4864 | 4'-chlorodiazepam: selectively binds peripheral benzodiazepine receptor | ||
| 4,5,6,7-tetrabromo-2-azabenzimidazole | 4,5,6,7-tetrabromobenzotriazole: a CK2 kinase inhibitor | ||
| cgp 52411 | 4,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups. 4,5-dianilinophthalimide: structure given in first source | phthalimides | geroprotector; tyrosine kinase inhibitor |
| 4-(2-aminoethyl)benzenesulfonylfluoride | |||
| 4-amino-1,8-naphthalimide | 4-amino-1,8-naphthalimide: inhibits ADP-ribosylation; sometimes abreviated as 4-AN; | benzoisoquinoline; dicarboximide | |
| 4-aminopyridine | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker | |
| p-chloromercuribenzoic acid | p-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent. | chlorine molecular entity; mercuribenzoic acid | |
| 4-nonylphenol | 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group. 4-nonylphenol: structure in first source; see also record for nonylphenol | phenols | environmental contaminant |
| 4-phenyl-3-furoxancarbonitrile | 4-phenyl-3-furoxancarbonitrile : A 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation. 4-phenyl-3-furoxancarbonitrile: structure given in first source | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
| phenytoin | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent | |
| 5,8,11,14-eicosatetraynoic acid | 5,8,11,14-Eicosatetraynoic Acid: A 20-carbon unsaturated fatty acid containing 4 alkyne bonds. It inhibits the enzymatic conversion of arachidonic acid to prostaglandins E(2) and F(2a). | long-chain fatty acid | |
| 5-(n,n-hexamethylene)amiloride | 5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring. 5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
| ethylisopropylamiloride | ethylisopropylamiloride : A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group. ethylisopropylamiloride: structure in first source | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
| 5-(nonyloxy)tryptamine | 5-(nonyloxy)tryptamine: a 5-HT1D beta serotonin receptor agonist; structure given in first source 5-nonyloxytryptamine : A tryptamine derivative that consists of serotonin bearing an additional O-nonyl substituent. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). | aromatic ether; primary amino compound; tryptamines | serotonergic agonist |
| 5-carboxamidotryptamine | 5-carboxamidotryptamine: agonist of 5-HT receptor; structure given in first source | tryptamines | |
| 5-fluoroindole-2-carboxylic acid | 5-fluoroindole-2-carboxylic acid: N-methyl-D-aspartate receptor antagonist | indolyl carboxylic acid | |
| methylbufotenin | 5-methoxy-N,N-dimethyltryptamine : A tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5. | aromatic ether; tertiary amino compound; tryptamine alkaloid | hallucinogen; plant metabolite |
| 5-methoxytryptamine | 5-methoxytryptamine : A member of the class of tryptamines that is the methyl ether derivative of serotonin. 5-Methoxytryptamine: Serotonin derivative proposed as potentiator for hypnotics and sedatives. | aromatic ether; primary amino compound; tryptamines | 5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist |
| 6,7-dichloroquinoxaline-2,3-dione | quinoxaline derivative | ||
| phenanthridone | phenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. phenanthridone: coal tar derivative; structure given in first source | lactam; phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen |
| 6-chloromelatonin | acetamides | ||
| 6-methoxytryptoline | 6-methoxytryptoline: RN given refers to parent cpd; structure | ||
| 6-nitroso-1,2-benzopyrone | |||
| 7,8-dihydroxyflavone | 7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's. | dihydroxyflavone | antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist |
| 7-hydroxyflavanone | 7-hydroxyflavanone : A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7. 7-hydroxyflavanone: structure given in first source | monohydroxyflavanone | |
| 8-(4-sulfophenyl)theophylline | 8-(4-sulfophenyl)theophylline: adenosine antagonist | ||
| 8-cyclopentyl-1,3-dimethylxanthine | 8-cyclopentyl-1,3-dimethylxanthine: prolongs epileptic seizures in rats | oxopurine | |
| 8-phenyltheophylline | 8-phenyltheophylline: purinergic P1 receptor antagonist | ||
| oxyquinoline | Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
| tacrine | tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders. | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamide | naphthalenes; sulfonic acid derivative | ||
| aa 861 | 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone: structure given in first source docebenone : A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group. | 1,4-benzoquinones; acetylenic compound; primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor |
| abt 702 | bipyridines | ||
| acebutolol | acebutolol : An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. Acebutolol: A cardioselective beta-1 adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm, as well as weak inherent sympathomimetic action. | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
| acemetacin | acemetacin : A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin. | carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
| acetaminophen | Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| acetazolamide | Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337) | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| acetochlor | acetochlor : A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
| n-acetyltryptophan | N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan. | N-acetyl-amino acid; tryptophan derivative | metabolite |
| acridone | acridone : A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9. | acridines; cyclic ketone | |
| ethacridine | Ethacridine: A topically applied anti-infective agent. | acridines | |
| tyrphostin ag 1024 | tyrphostin AG 1024: modulates radiosensitivity in human breast cancer cells; also an IGF1 receptor inhibitor | alkylbenzene | |
| ag 127 | tyrphostin AG 126: inhibits development of postoperative ileus induced by surgical manipulation of murine colon | nitrophenol | |
| ag 1295 | quinoxaline derivative | geroprotector | |
| ag-1296 | 6,7-dimethoxy-3-phenylquinoxaline: ATP-competitive inhibitor of receptor kinase | quinoxaline derivative | |
| rtki cpd | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector | |
| tyrphostin a23 | tyrphostin A23: inhibits EGF-stimulated thymidine incorporation as well as EGF-stimulated receptor autophosphorylation & tyrosine phosphorylation & cell proliferation; structure given in first source | catechols | |
| tyrphostin 25 | benzenetriol | ||
| tyrphostin a1 | methoxybenzenes | geroprotector | |
| 1-aminoindan-1,5-dicarboxylic acid | 1-aminoindan-1,5-dicarboxylic acid: structure given in first source | ||
| 5-aminoisoquinolinone | 5-aminoisoquinolinone: structure in first source | isoquinolines | |
| aklomide | aklomide: structure | carbonyl compound; organohalogen compound | |
| alachlor | alachlor : An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom. | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
| albendazole | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator | |
| albuterol | albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol. | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
| alendronate | alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
| alfuzosin | alfuzosin: structure given in first source | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
| alosetron | alosetron : A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position. | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
| alpha-methylserotonin | alpha-methylserotonin: potent agonist at M & D receptors of serotonin; RN given refers to parent cpd | tryptamines | serotonergic agonist |
| alprenolol | alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent. Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent. | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
| am 251 | AM 251: an analog of SR141716A; structure given in first source AM-251 : A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor. | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
| am 580 | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid : An amidobenzoic acid obtained by formal condensation of the carboxy group of (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid with the anilino group of 4-aminobenzoic acid. A selective RARalpha agonist. Am 580: a selctive retinoic acid receptor (alpha) agonist; structure given in first source | amidobenzoic acid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
| amantadine | amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
| ambroxol | Ambroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride. | aromatic amine | |
| amifostine anhydrous | amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy. Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia. | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
| pimagedine | aminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide. pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
| p-aminohippuric acid | p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity. | N-acylglycine | Daphnia magna metabolite |
| theophylline | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent | |
| 2-aminothiazole | 1,3-thiazol-2-amine : A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2. 2-aminothiazole: RN given refers to parent cpd; structure | 1,3-thiazoles; primary amino compound | |
| amiodarone | amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance. | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
| dan 2163 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic | |
| amitriptyline | amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines. | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
| amlexanox | amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. amlexanox: SRA-A antagonist;structure given in first source | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
| amlodipine | amlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION. | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
| amodiaquine | amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties. | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
| amoxapine | amoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position. Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression. | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
| ampiroxicam | ampiroxicam : A benzothiazine that is the 1-[(ethoxycarbonyl)oxy]ethyl ether of piroxicam. A prodrug for piroxicam, it is used for the relief of pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis. ampiroxicam: prodrug of piroxicam; structure given in first source | acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide | analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
| amsacrine | amsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity. Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent. | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| anisindione | anisindione : A cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. anisindione: structure | aromatic ketone; beta-diketone | anticoagulant; vitamin K antagonist |
| anthralin | anthralin : An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9. Anthralin: An anthracene derivative that disrupts MITOCHONDRIA function and structure and is used for the treatment of DERMATOSES, especially PSORIASIS. It may cause FOLLICULITIS. | anthracenes | antipsoriatic |
| 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | aporphine alkaloid | ||
| apraclonidine | apraclonidine : An imidazoline that is 2-amino 4,5-dihydro-1H-imidazoline in which one of the exocyclic amino hydrogens has been replaced by a 4-amino-2,6-dichlorophenyl group. apraclonidine: relieves postoperative intraocular pressure following trabeculoplasty; RN given refers to parent cpd | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
| aranidipine | aranidipine: structure given in first source | organic molecular entity | |
| arcaine | 1,4-diguanidinobutane : A guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions. arcaine: RN given refers to parent cpd; structure | guanidines | |
| aspirin | acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5) | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
| astemizole | astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects. | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
| atenolol | atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect. | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
| alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate | alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate: a glutamate agonist | alpha-amino acid | |
| atrazine | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic | |
| aurintricarboxylic acid | aurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'. Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues. | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist |
| azasetron | azasetron: a selective 5-HT3 receptor antagonist; structure given in first source; | benzoxazine | |
| azathioprine | azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS. Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed) | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
| azelaic acid | nonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
| azelastine | azelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position. azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
| azinphosmethyl | azinphos-methyl : A member of the class of benzotriazines that is 1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3. Azinphosmethyl: An organothiophosphorus cholinesterase inhibitor. It has been used as an acaricide and as an insecticide. | benzotriazines; organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| azobenzene | (E)-azobenzene : The (E)-isomer of azobenzene. (Z)-azobenzene : The (Z)-isomer of azobenzene. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds. azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure | azobenzenes | |
| azosemide | azosemide : A sulfonamide that is benzenesulfonamide which is substituted at positions 2, 4, and 5 by chlorine, (2-thienylmethyl)amino and 1H-tetrazol-5-yl groups, respectively. It is a diuretic that has been used in the management of oedema and hypertension. | monochlorobenzenes; sulfonamide; tetrazoles; thiophenes | loop diuretic |
| 2,2-bis(4-glycidyloxyphenyl)propane | 2,2-bis(4-glycidyloxyphenyl)propane: structure | diarylmethane | |
| bendroflumethiazide | bendroflumethiazide : A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group. Bendroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810) | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
| benextramine | benextramine: RN given refers to parent cpd | ||
| benefin | benefin: structure benfluralin : A tertiany amino compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group. It is used as a pre-emergence herbicide used for the control of grass and other weeds in a range of food and non-food crops. | C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound | agrochemical; herbicide |
| benzamide | benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | benzamides | |
| benzamidine | benzamidine : A carboxamidine that is benzene carrying an amidino group. benzamidine: RN given refers to parent cpd | benzenes; carboxamidine | serine protease inhibitor |
| benzbromarone | benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout. | 1-benzofurans; aromatic ketone | uricosuric drug |
| benzo(a)pyrene | Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
| benzocaine | benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice. | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
| benzyl benzoate | benzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
| benzyl isothiocyanate | benzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinoma | benzenes; isothiocyanate | antibacterial drug |
| benzylhydrochlorothiazide | benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide | ||
| bepridil | bepridil : A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl. Bepridil: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist. | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
| berberine | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker | |
| diminazene | diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group. Diminazene: An effective trypanocidal agent. | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
| benzo(b)thiophene-2-boronic acid | benzo(b)thiophene-2-boronic acid: inhibits AmpC beta-lactamase; structure in first source | ||
| beta-naphthoflavone | beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308) | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| propiolactone | Propiolactone: Disinfectant used in vapor form to sterilize vaccines, grafts, etc. The vapor is very irritating and the liquid form is carcinogenic. | propan-3-olide | |
| 2,5-di-tert-butylhydroquinone | 2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5. | hydroquinones | |
| bicalutamide | bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism. bicalutamide: approved for treatment of advanced prostate cancer N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
| bifemelane | bifemelane: structure given in first source | diarylmethane | |
| bay h 4502 | 1-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1. bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections. | biphenyls; imidazoles | |
| bis(5-amidino-2-benzimidazolyl)methane | bis(5-amidino-2-benzimidazolyl)methane: aromatic diamidine which has a significant suppressive effect on the cytopathology & yield of respiratory synctial (RS) virus; RN given refers to parent cpd | ||
| bisacodyl | Bisacodyl: A diphenylmethane stimulant laxative used for the treatment of CONSTIPATION and for bowel evacuation. (From Martindale, The Extra Pharmacopoeia, 30th ed, p871) | diarylmethane | |
| bisindolylmaleimide i | bisindolylmaleimide I: a bis(indolyl)maleimide | ||
| 2-(1-(2-(1-methylpyrrolidino)ethyl)-1h-indol-3-yl)maleimide | bisindolylmaleimide II: protein kinase C inhibitor; see also bisindolylmaleimide I | ||
| bisindolylmaleimide iii | bisindolylmaleimide III: structure in first source | indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| bisindolylmaleimide iv | indoles; maleimides | ||
| bisindolylmaleimide v | bisindolylmaleimide V: used as a negative control compound for protein kinase C inhibition; structure in first source; | indoles | |
| ro 31-7549 | Ro 31-7549: structure | ||
| ro 31-8425 | |||
| bisoprolol | Bisoprolol: A cardioselective beta-1 adrenergic blocker. It is effective in the management of HYPERTENSION and ANGINA PECTORIS. | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
| bithionol | bithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders. Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations. | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
| bmy 7378 | piperazines | ||
| brimonidine | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent | |
| bromhexine | bromhexine : A substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum). Bromhexine: A mucolytic agent used in the treatment of respiratory disorders associated with viscid or excessive mucus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p744) | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
| broxyquinoline | broxyquinoline: structure | organohalogen compound; quinolines | |
| ym 58483 | |||
| bufexamac | bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties. Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally. | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| buflomedil | buflomedil: RN given refers to parent cpd; synonym LL 1656 refers to HCl; structure | aromatic ketone | |
| bunazosin | bunazosin: structure | quinazolines | |
| bupranolol | Bupranolol: An adrenergic-beta-2 antagonist that has been used for cardiac arrhythmia, angina pectoris, hypertension, glaucoma, and as an antithrombotic. | aromatic ether | |
| buspirone | buspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position. Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM. | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
| busulfan | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent | |
| butamben | butamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders. butamben: structure | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic |
| butenafine | butenafine : Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections. butenafine: studied on experimental dermatophytosis | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
| caffeine | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic | |
| verapamil | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine. Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent. | aromatic ether; nitrile; polyether; tertiary amino compound | |
| calmidazolium | calmidazolium : An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein. calmidazolium: powerful inhibitor of or red blood cell Ca++-ATPase & Ca++ transport into inside-out red blood cell vesicles; RN refers to chloride; structure in first source; an antagonist of calmodulin | imidazolium ion | apoptosis inducer; calmodulin antagonist |
| camostat | camostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients. | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
| candesartan cilexetil | candesartan cilexetil: a prodrug which is metabolized to an active form candesartan to exert its biological effects | biphenyls | |
| candesartan | candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension. candesartan: a nonpeptide angiotensin II receptor antagonist | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
| cannabinol | Cannabinol: A physiologically inactive constituent of Cannabis sativa L. | dibenzopyran | |
| cantharidin | furofuran | ||
| carbamazepine | carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties. | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
| carbamazepine epoxide | carbamazepine epoxide: metabolite of carbamazepine; RN given refers to unlabeled cpd carbamazepine-10,11-epoxide : An epoxide and metabolite of carbamazepine. | dibenzoazepine; epoxide; ureas | allergen; drug metabolite; marine xenobiotic metabolite |
| carbetapentane | carbetapentane: RN given refers to parent cpd | benzenes | |
| carbofuran | Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed) | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
| carbazilquinone | Carbazilquinone: An alkylating agent structurally similar to MITOMYCIN and found to be effective in the treatment of leukemia and various other neoplasms in mice. It causes leukemia and thrombocytopenia in almost all human patients. | organic molecular entity | |
| carmofur | organohalogen compound; pyrimidines | ||
| carmustine | carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group. Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed) | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
| carprofen | carprofen : Propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs. carprofen: RN given refers to cpd without isomeric designation | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
| carvedilol | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent | |
| carbonyl cyanide m-chlorophenyl hydrazone | Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death. | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
| celecoxib | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
| cetirizine | cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects. | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
| cetyl alcohol | cetyl alcohol: has been used for eczema, skin irritations; RN given refers to parent cpd; structure hexadecan-1-ol : A long-chain primary fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. hexadecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of sixteen carbon atoms. | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
| cetylpyridinium | Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges. | pyridinium ion | |
| cgp 20712a | imidazoles | ||
| cgp 12177 | CGP 12177 : A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. | aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
| cgs 12066 | 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline : A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration. | N-arylpiperazine; organofluorine compound; pyrroloquinoxaline | serotonergic agonist |
| cgs 15943 | 9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors. | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant |
| chelerythrine | chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
| chlorambucil | chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed) | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
| chlorcyclizine | chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness | diarylmethane | |
| chlordiazepoxide | chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2. Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal. | benzodiazepine | |
| chlormezanone | chlormezanone : A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions. Chlormezanone: A non-benzodiazepine that is used in the management of anxiety. It has been suggested for use in the treatment of muscle spasm. | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
| chloroquine | chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses. | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
| chloroxine | chloroxine : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 have been substituted by chlorine. A synthetic antibacterial prepared by chlorination of quinolin-8-ol, it is used for the treatment of dandruff and seborrhoeic dermatitis of the scalp. | monohydroxyquinoline; organochlorine compound | antibacterial agent; antifungal drug; antiseborrheic |
| chloroxylenol | 4-chloro-3,5-dimethylphenol : A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores. chloroxylenol: topical antiseptic; RN given refers to parent cpd; structure | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
| chlorpheniramine | chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma. Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE. | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
| chlorpromazine | chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup. | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
| chlorpropamide | chlorpropamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification. Chlorpropamide: A sulfonylurea hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277) | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
| chlorpropham | chlorpropham : A carbamate ester that is the isopropyl ester of 3-chlorophenylcarbamic acid. Chlorpropham: A carbamate that is used as an herbicide and as a plant growth regulator. | benzenes; carbamate ester; monochlorobenzenes | herbicide; plant growth retardant |
| chlorpyrifos | chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide. | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
| chromone-2-carboxylic acid | chromones | ||
| ci 994 | tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
| cifenline | diarylmethane | ||
| ciclopirox | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic | |
| ciglitazone | ciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist. ciglitazone: structure given in second source; PPAR agonist used for type II diabetes | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
| cimaterol | benzenes; nitrile | ||
| cimetidine | cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output. | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
| aricine | cinchona alkaloid | ||
| eucalyptol | |||
| ciprofloxacin | ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline. | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
| cirazoline | cirazoline: posseses agonist properties at alpha-adrenoreceptor sites; RN given refers to parent cpd | aromatic ether | |
| cisplatin | |||
| cisapride | cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere. Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed) | benzamides | |
| citalopram | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active. Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia. | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
| cl 387785 | CL 387785: structure in first source N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide : A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group. | bromobenzenes; quinazolines; secondary carboxamide; ynamide | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
| clebopride | clebopride: antidopaminergic; RN given refers to parent cpd; structure | piperidines | |
| clenbuterol | clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma. | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
| clioquinol | 5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease. Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide. | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
| clofazimine | clofazimine : 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients. Clofazimine: A fat-soluble riminophenazine dye used for the treatment of leprosy. It has been used investigationally in combination with other antimycobacterial drugs to treat Mycobacterium avium infections in AIDS patients. Clofazimine also has a marked anti-inflammatory effect and is given to control the leprosy reaction, erythema nodosum leprosum. (From AMA Drug Evaluations Annual, 1993, p1619) | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
| clofibrate | angiokapsul: contains clofibrate & insoitolnicotinate | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
| clofibric acid | clofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE. | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
| clofilium | clofilium: RN given refers to parent cpd; structure | benzenes; organic amino compound | |
| clofoctol | diarylmethane | ||
| clomipramine | clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias. Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine. | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
| clonazepam | clonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation. Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses. | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
| clonidine | clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group. Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION. | clonidine; imidazoline | |
| cloperastine | cloperastine: RN given refers to parent cpd | diarylmethane | |
| clorprenaline | 1-(2-chlorophenyl)-2-isopropylaminoethanol : A member of the class of monochlorobenzenes that is chlorobenzene which is substituted by a 1-hydroxy-2-[(propan-2-yl)amino]ethyl group at position 2. clorprenaline : A racemate comprise of equimolar amounts of (R)- and (S)-clorprenaline. It is a beta2-adrenergic receptor agonist and a bronchodilator. | ethanolamines; monochlorobenzenes; secondary amino compound | |
| clotrimazole | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | |
| cloxyquin | cloxyquin: has antitubercular activity; structure in first source | organochlorine compound; quinolines | |
| cocaine | |||
| coumaphos | Coumaphos: A organothiophosphorus cholinesterase inhibitor that is used as an anthelmintic, insecticide, and as a nematocide. | organic thiophosphate; organochlorine compound; organothiophosphate insecticide | acaricide; agrochemical; antinematodal drug; avicide; EC 3.1.1.8 (cholinesterase) inhibitor |
| 2-(2-hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone | |||
| cyclofenil | Cyclofenil: A gonadal stimulant and inducer of ovulation. It is used in the treatment of infertility and amenorrhea, but is thought to be less effective than CLOMIPHENE. | organic molecular entity | |
| cycloleucine | 1-aminocyclopentanecarboxylic acid : A non-proteinogenic alpha-amino acid that is cyclopentane substituted at position 1 by amino and carboxy groups. Cycloleucine: An amino acid formed by cyclization of leucine. It has cytostatic, immunosuppressive and antineoplastic activities. | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
| cyclothiazide | cyclothiazide : 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema. cyclothiazide: inhibits the desensitization of AMPA-type receptors; structure | benzothiadiazine | antihypertensive agent; diuretic |
| cypermethrin | cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45. | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
| cyproheptadine | cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia. Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc. | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
| dimethyl 2,3,5,6-tetrachloroterephthalate | dimethyl 2,3,5,6-tetrachloroterephthalate: structure | diester; methyl ester | |
| damnacanthal | damnacanthal: structure given in first source; isolated from the stem bark and roots of Morinda lucida; a selective inhibitor of p56(lck) tyrosine kinase activity | aldehyde; monohydroxyanthraquinone | |
| danthron | chrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8. danthron: structure | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
| dapi | DAPI: RN given refers to parent cpd. | indoles | fluorochrome |
| decanoic acid | decanoate : A fatty acid anion 10:0 that is the conjugate base of decanoic acid. decanoic acid : A C10, straight-chain saturated fatty acid. | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
| denbufylline | denbufylline: structure given in first source | oxopurine | |
| dephostatin | dephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source | ||
| dequalinium | dequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group. Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration. | quinolinium ion | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
| desipramine | desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors. | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
| nordazepam | nordazepam : A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety. Nordazepam: An intermediate in the metabolism of DIAZEPAM to OXAZEPAM. It may have actions similar to those of diazepam. | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
| nonivamide | nonivamide : A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays. nonivamide: has effect on sensory neurons | capsaicinoid; phenols | lachrymator |
| racemethorphan | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene : An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11. | aromatic ether; morphinane alkaloid; morphinane-like compound; organic heterotetracyclic compound | |
| r 59022 | R 59022: diacylglycerol kinase inhibitor; structure given in first source; platelet activator factor antagonist | diarylmethane | |
| diazepam | diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity. | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
| diazinon | diazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide. | organic thiophosphate; pyrimidines | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic |
| diazoxide | diazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies. Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group. | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
| diclofenac | diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt. | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| dichlorodiphenyl dichloroethylene | Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
| ddt | 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
| dichlorophen | Dichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.) | bridged diphenyl fungicide; diarylmethane | |
| dichlorphenamide | Dichlorphenamide: A carbonic anhydrase inhibitor that is used in the treatment of glaucoma. diclofenamide : A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma. | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
| dichlorvos | dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate. Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE. | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| dicyclomine | dicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome. Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms. | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
| pentetic acid | Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium. | pentacarboxylic acid | copper chelator |
| diphenidol | diphenidol : A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4. diphenidol: shows anti-arrhythmic activity; RN given refers to unlabeled parent cpd | benzenes; piperidines; tertiary alcohol | antiemetic |
| diflunisal | diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN. | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| dilacor xr | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate : A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group. | acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound | |
| dimercaprol | dimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury. Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning. | dithiol; primary alcohol | chelator |
| fonazine | fonazine: has considerable antiemetic & serotonin antagonistic action used mainly in allergic skin conditions; minor descriptor (75-84); on-line & Index Medicus search PHENOTHIAZINES (75-84); RN given refers to parent cpd | phenothiazines | |
| dinitolmide | Dinitolmide: A coccidiostat for poultry. | dinitrotoluene | |
| diphenhydramine | antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug. Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects. | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
| diphenyleneiodonium | dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine. diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor | organic cation | |
| benzophenone | benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | benzophenones | photosensitizing agent; plant metabolite |
| dipyridamole | dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots. Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752) | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
| dipyrithione | pyridinium ion | ||
| disopyramide | disopyramide : A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug. Disopyramide: A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties. | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
| stallimycin | |||
| disulfiram | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor | |
| valproic acid | valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS. | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
| safingol | 2-aminooctadecane-1,3-diol : An aminodiol that is octadecane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2. | aminodiol; sphingoid | |
| n(6),n(6)-dimethyladenine | N(6),N(6)-dimethyladenine : A tertiary amine that is adenine substituted at N-6 by geminal methyl groups. | tertiary amine | |
| 2,3-dimethoxy-1,4-naphthoquinone | 2,3-dimethoxynaphthalene-1,4-dione : A naphthoquinone that is 1,4-naphthoquinone bearing two methoxy substituents at positions 2 and 3. Redox-cycling agent that induces intracellular superoxide anion formation and, depending on the concentration, induces cell proliferation, apoptosis or necrosis. Used to study the role of ROS in cell toxicity, apoptosis, and necrosis. | 1,4-naphthoquinones | |
| domperidone | domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms. | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
| donepezil | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE. | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
| adtn | ADTN: RN given refers to parent cpd without isomeric designation; structure | ||
| doxazosin | doxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure. Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker. | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
| doxepin | doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug. Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors. | dibenzooxepine; tertiary amino compound | antidepressant |
| droperidol | droperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593) | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
| e 4031 | E 4031: class III anti-arrhythmia agent; structure given in UD | sulfonamide | |
| ebastine | organic molecular entity | ||
| ebselen | ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
| nsc-526417 | |||
| econazole | 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group. econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. Econazole: An imidazole derivative that is commonly used as a topical antifungal agent. | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
| edrophonium | edrophonium : A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. Edrophonium: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles. | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
| efavirenz | |||
| ellipticine | ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
| embelin | embelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. embelin: from Embelia fruit (Myrsinaceae) | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
| emodin | emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies. | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
| endosulfan | endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10. Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61) | cyclic sulfite ester; cyclodiene organochlorine insecticide | acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant |
| endothall | endothall: minor descriptor (72-82); online & Index Medicus search DICARBOXYLIC ACIDS (72-82) | ||
| enoxacin | enoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea. Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID. | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
| epinastine | epinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine. epinastine: RN given refers parent cpd | benzazepine; guanidines | anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug |
| erythrosine | Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays. | ||
| etafenone | etafenone: used in therapy of anigna pectoris; RN given refers to parent cpd; synonym baxacor is HCl; structure | aromatic compound | |
| ethacrynic acid | etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor. Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic. | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
| ethenzamide | ethenzamide: structure | organic molecular entity | |
| ethion | ethion : An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7). ethion: minor descriptor (73-82); online & Index Medicus search INSECTICIDES, ORGANOTHIOPHOSPHATE (73-82) | organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide |
| profenamine | profenamine : A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease. profenamine: was heading 1972-94 (see under PHENOTHIAZINES 1972-90); use PHENOTHIAZINES to search ETHOPROPAZINE 1972-94 | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist |
| ethoxyquin | ethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6. Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears. | aromatic ether; quinolines | antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator |
| ethoxzolamide | ethoxzolamide : A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic. Ethoxzolamide: A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia. | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| ethyl piperidinoacetylaminobenzoate | benzoate ester; piperidines | ||
| etizolam | etizolam: structure given in first source | organic molecular entity | |
| etodolac | etodolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active. Etodolac: A non-steroidal anti-inflammatory agent and cyclooxygenase-2 (COX-2) inhibitor with potent analgesic and anti-arthritic properties. It has been shown to be effective in the treatment of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; ANKYLOSING SPONDYLITIS; and in the alleviation of postoperative pain (PAIN, POSTOPERATIVE). | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| s-ethyl n-(4-(trifluoromethyl)phenyl)isothiourea | S-ethyl N-(4-(trifluoromethyl)phenyl)isothiourea: structure in first source | ||
| 2-hexyloxybenzamide | 2-hexyloxybenzamide: structure | aromatic ether; benzamides | antifungal agent |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group. Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies. | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
| 4-biphenylylacetic acid | biphenyl-4-ylacetic acid : A monocarboxylic acid in which one of the alpha-hydrogens is substituted by a biphenyl-4-yl group. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis. | biphenyls; monocarboxylic acid | non-steroidal anti-inflammatory drug |
| felodipine | felodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris. Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
| fenbendazole | fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. Fenbendazole: Antinematodal benzimidazole used in veterinary medicine. | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
| fenbufen | fenbufen: structure; RN given refers to parent cpd | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
| fenipentol | fenipentol: stimulates plasma secretion & exocrine pancreatic secretion | benzenes | |
| fenofibrate | Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
| fenoldopam | Fenoldopam: A dopamine D1 receptor agonist that is used as an antihypertensive agent. It lowers blood pressure through arteriolar vasodilation. | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
| berotek | fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction. Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic. | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
| fentanyl | fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078) | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
| fexofenadine | fexofenadine : A piperidine-based anti-histamine compound. fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
| fipronil | 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile : A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively. fipronil : A racemate comprising equimolar amounts of (R)- and (S)-fipronil. fipronil: has low mammalian toxicity; structure given in first source | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide | |
| flavoxate | flavoxate : A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol. Flavoxate: A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist. | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
| flecainide | flecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart). Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS. | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
| fluconazole | fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS. | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
| flucytosine | flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections. Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent. | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
| flufenamic acid | flufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders. Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16) | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| fluphenazine | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug | |
| flumazenil | flumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose. Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses. | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
| flunitrazepam | flunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia. Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug. | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
| fluorescite | fluorescein (acid form) : A xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer. | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
| fluorouracil | 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid. | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
| fluoxetine | fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
| flurbiprofen | flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain. Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE. | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| fp 83 | FP 83: structure given in first source | organic molecular entity | |
| fluspirilene | Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia. | diarylmethane | |
| flutamide | Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species. | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
| formoterol fumarate | N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide : A phenylethanoloamine having 4-hydroxy and 3-formamido substituents on the phenyl ring and an N-(4-methoxyphenyl)propan-2-yl substituent. | formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound | |
| furosemide | furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure. Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY. | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
| gaboxadol | gaboxadol: GABA agonist; inhibitor of GABA uptake systems; structure | oxazole | |
| vanoxerine | vanoxerine : An N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration. vanoxerine: structure given in first source | ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound | dopamine uptake inhibitor |
| gbr 12935 | 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine : An N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). | ether; N-alkylpiperazine; tertiary amino compound | dopamine uptake inhibitor |
| gemfibrozil | aromatic ether | antilipemic drug | |
| gentian violet | crystal violet cation : An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group. | iminium ion | antibacterial agent; antifungal agent |
| glimepiride | glimepiride: structure given in first source | sulfonamide | |
| glutaral | Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5. | dialdehyde | cross-linking reagent; disinfectant; fixative |
| glyburide | glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group. Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
| glybuzole | glybuzole: structure | organic molecular entity | |
| go 6976 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor | |
| gossypol | Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. | ||
| granisetron | aromatic amide; indazoles | ||
| guanfacine | Guanfacine: A centrally acting antihypertensive agent with specificity towards ADRENERGIC ALPHA-2 RECEPTORS. | acetamides | |
| guvacine | guvacine : A alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. guvacine: RN given refers to parent cpd | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
| gw8510 | GW8510: 3' substituted indolone as a scaffold for the development of neuroprotective drug; structure in first source | ||
| n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | isoquinolines; sulfonamide | ||
| n-(2-aminoethyl)-5-isoquinolinesulfonamide | |||
| 1-(5-isoquinolinesulfonyl)piperazine | isoquinolines | ||
| ha 1004 | N-(2-guanidinoethyl)-5-isoquinolinesulfonamide: structure given in first source | isoquinolines | |
| fasudil | fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia. fasudil: intracellular calcium antagonist; structure in first source | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
| haloperidol | haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279) | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
| haloprogin | haloprogin: minor descriptor (73-86); on-line & INDEX MEDICUS search PHENYL ETHERS (73-86) | aromatic ether | |
| halothane | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic | |
| harmaline | harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM. | harmala alkaloid | oneirogen |
| harmalol | harmalol : A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. harmalol: inhibitor of rat liver microsomal UDP-glucuronyltransferase; RN given refers to parent cpd; structure | harmala alkaloid | algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor |
| 2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether | 2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether: potent inhibitor of protein kinase C; structure given in first source | tannin | |
| heptachlor | heptachlor : A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations. Heptachlor: A man-made compound previously used to control termites and other insects. Even though production of heptachlor was phased out of use in the United States during the late 1980's it remains in soil and hazardous waste sites. It is clearly toxic to animals and humans but, the International Agency for Research on Cancer (IARC) has determined that heptachlor is not classifiable as to its carcinogenicity to humans. (From ATSDR Public Heath Statement, April 1989) | cyclodiene organochlorine insecticide | agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant |
| hexachlorophene | hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797) | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
| miltefosine | miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine. miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
| hexestrol | stilbenoid | ||
| hexylresorcinol | resorcinols | ||
| beta-thujaplicin | beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. beta-thujaplicin: structure | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
| homochlorocyclizine | homochlorocyclizine: RN given refers to parent cpd | diarylmethane | |
| huprine x | huprine X: structure in first source | ||
| hycanthone | hycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel. Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE. | thioxanthenes | mutagen; schistosomicide drug |
| hydralazine | hydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent. Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent. | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
| hydrochlorothiazide | hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure. Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism. | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
| hydroflumethiazide | hydroflumethiazide : A benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide. Hydroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p822) | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
| hydroxychloroquine | hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970) | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
| hydroxyurea | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent | |
| hydroxyzine | hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative. | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
| hypericin | |||
| ibudilast | pyrazolopyridine | ||
| ibuprofen | Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
| phenelzine | Phenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC. | primary amine | |
| lidocaine | lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline. Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE. | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
| ici 118551 | indanes | ||
| idebenone | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor | |
| ifenprodil | ifenprodil: NMDA receptor antagonist | piperidines | |
| imipramine | imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group. | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| amrinone | amrinone : A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure. Amrinone: A positive inotropic cardiotonic (CARDIOTONIC AGENTS) with vasodilator properties, phosphodiesterase 3 inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell. | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indirubin-3'-monoxime | indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. indirubin-3'-monoxime: has antiangiogenic activity | ||
| indirubin-5-sulfonate | |||
| indole-3-carbinol | indole-3-carbinol: occurs in edible cruciferous vegetables indole-3-methanol : An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. | indolyl alcohol | antineoplastic agent; plant metabolite |
| indolepropanol phosphate | 3-(indol-3-yl)propyl phosphate : An monoalkyl phosphate compound having an O-3-(indol-3-yl)propyl substituent. indolepropanol phosphate: binds specifically to the alpha subunit, but not to the beta subunit of tryptophan synthase | indoles; monoalkyl phosphate | |
| indomethacin | indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES. | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic; xenobiotic metabolite |
| indoprofen | indoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein. Indoprofen: A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p21) | gamma-lactam; isoindoles; monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| iodixanol | iodixanol : A dimeric, non-ionic, water-soluble, radiographic contrast agent, used particularly in coronary angiography. iodixanol: dimeric contrast media; structure given in first source | organoiodine compound | radioopaque medium |
| iodoacetamide | |||
| iodoquinol | iodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis. Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide. | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
| iopanoic acid | Iopanoic Acid: Radiopaque medium used as diagnostic aid. | monocarboxylic acid | |
| iodipamide | adipiodone : An organoiodine compound that is 3-amino-2,4,6-triiodobenzoic acid in which one of the amino hydrogens is substituted by a 6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl group. It is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. Iodipamide: A water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
| ipriflavone | ipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. | aromatic ether; isoflavones | bone density conservation agent |
| iproniazid | carbohydrazide; pyridines | ||
| avapro | irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease. | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
| 1-methyl-3-isobutylxanthine | 1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively. | 3-isobutyl-1-methylxanthine | |
| isoconazole | 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1. isoconazole : A racemate comprising equimolar amounts of (R)- and (S)-isoconazole. A broad-spectrum antibacterial drug used (as its nitrate salt) for treatment of dermatomycoses. | dichlorobenzene; ether; imidazoles | |
| isoetharine | Isoetharine: Adrenergic beta-2 agonist used as bronchodilator for emphysema, bronchitis and asthma. | catecholamine | |
| isoflurane | Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects. | organofluorine compound | inhalation anaesthetic |
| isoguvacine | isoguvacine: A GABA agonist; RN given refers to parent cpd; structure | tetrahydropyridine | |
| isoniazid | Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). | carbohydrazide | antitubercular agent; drug allergen |
| 4-piperidinecarboxylic acid | 4-piperidinecarboxylic acid: structure in first source | ||
| propyphenazone | propyphenazone : A pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group. propyphenazone: structure | pyrazolone | non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
| isoproterenol | isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders. Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant. | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
| itraconazole | piperazines | ||
| 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration | ||
| whi p154 | WHI P154: an anti-leukemic agent; structure in first source | ||
| 1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | ZM39923: structure in first source | naphthalenes | |
| 1-(2-naphthalenyl)-2-propen-1-one | naphthalenes | ||
| jl 18 | JL 18: a pyridobenzodiazepine derivative bioisoster of clozapine | ||
| juglone | juglone : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. juglone: structure | hydroxy-1,4-naphthoquinone | geroprotector; herbicide; reactive oxygen species generator |
| staurosporine aglycone | staurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor | ||
| nsc 664704 | kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). kenpaullone: inhibits CDK1/cyclin B; structure in first source | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
| ketamine | ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors. | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
| ketanserin | ketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group. Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients. | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
| ketoconazole | 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
| ketoprofen | ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis. | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
| ketorolac | 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid : A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively. ketorolac : A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure. Ketorolac: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed) | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
| ketotifen | ketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect. Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis. | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
| khellin | khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024) | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
| kojic acid | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent | |
| kynurenic acid | kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool. | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
| labetalol | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure. Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS. | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
| lamotrigine | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic | |
| lansoprazole | Lansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers. | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| lapachol | lapachol : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae. | ||
| beta-lapachone | beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
| lavendustin a | lavendustin A: from Streptomyces griseolavendus; structure given in first source | aromatic amine | |
| 2-hydroxy-5-(2,5-dihydrobenzyl)aminobenzoic acid | aromatic amine | ||
| leflunomide | leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide. Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS. | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
| letrozole | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor | |
| bunolol | Bunolol: A nonselective beta-adrenoceptor antagonist used in the treatment of glaucoma. | naphthalenone | |
| lg 100268 | LG 100268: a retinoid X receptor (RXR) selective compound; structure given in first source | ||
| lidoflazine | Lidoflazine: Coronary vasodilator with some antiarrhythmic action. | diarylmethane | |
| liranaftate | piritetrate: structure given in first source | tetralins | |
| lomefloxacin | lomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery. lomefloxacin: structure given in first source | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | antimicrobial agent; antitubercular agent; photosensitizing agent |
| loperamide | loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease. Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally. | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
| loratadine | loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders. Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness. | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
| losartan | losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II. | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
| loxapine | Loxapine: An antipsychotic agent used in SCHIZOPHRENIA. | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
| ly 171883 | LY 171883: structure in first source; leukotriene receptor antagonist tomelukast : A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity. | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide: structure in first source 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-(dimethylamino)benzoic acid with the amino group of 7-amino-N-hydroxyheptanamide. It is a potent inhibitor of histone deacetylases and induces cell cycle arrest and apoptosis in several human cancer cell lines. | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
| malathion | diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites. Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes. | diester; ethyl ester; organic thiophosphate | |
| maprotiline | Maprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use. | anthracenes | |
| mazindol | Mazindol: Tricyclic anorexigenic agent unrelated to and less toxic than AMPHETAMINE, but with some similar side effects. It inhibits uptake of catecholamines and blocks the binding of cocaine to the dopamine uptake transporter. | organic molecular entity | |
| edaravone | pyrazolone | antioxidant; radical scavenger | |
| mebendazole | mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES. | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
| meclofenamic acid | meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis. | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
| meclofenamate sodium anhydrous | organic sodium salt | ||
| medazepam | Medazepam: A benzodiazepine derivative used in the treatment of anxiety. It has sedative, muscle relaxant, and anticonvulsant properties. One of its metabolites is DIAZEPAM and one of its excretion products is OXAZEPAM. | organic molecular entity | |
| mefenamic acid | mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis. Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase. | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
| mefloquine hydrochloride | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4. | organofluorine compound; piperidines; quinolines; secondary alcohol | |
| memantine | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist | |
| vitamin k 3 | Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
| meperidine | Meperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration. pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain. | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
| mepivacaine | mepivacaine : A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic. Mepivacaine: A local anesthetic that is chemically related to BUPIVACAINE but pharmacologically related to LIDOCAINE. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168) | piperidinecarboxamide | drug allergen; local anaesthetic |
| mequitazine | mequitazine: RN given refers to parent cpd without isomeric designation; structure | phenothiazines | |
| mesalamine | mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position. Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed) | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
| mescaline | mescaline : A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups. Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church. | methoxybenzenes; phenethylamine alkaloid; primary amino compound | hallucinogen |
| mesoridazine | mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group. Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE. | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
| metaproterenol | 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol : A member of the class of resorcinols bearing an additional 1-hydroxy-2-(isopropanylamino)ethyl substituent at position 5 of resorcinol itself. Metaproterenol: A beta-2 adrenergic agonist used in the treatment of ASTHMA and BRONCHIAL SPASM. orciprenaline : A racemate composed of equimolar amounts of (R)- and (S)-orciprenaline. Used (as its sulfate salt) to relax the airway muscles and improve breathing for patients suffering from asthma or bronchitis. | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
| metformin | metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289) | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
| methadone | 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4. methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction. Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3) | benzenes; diarylmethane; ketone; tertiary amino compound | |
| methapyrilene | methapyrilene : A member of the class of ethylenediamine derivatives that is ethylenediamine in which one of the nitrogens is substituted by two methyl groups, and the other nitrogen is substituted by a 2-pyridyl group and a (2-thienyl)methyl group. Methapyrilene: Histamine H1 antagonist with sedative action used as a hypnotic and in allergies. | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
| methazolamide | Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma. | sulfonamide; thiadiazoles | |
| methenamine | hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173) | polyazaalkane; polycyclic cage; tetramine | antibacterial drug |
| methiothepin | methiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively). Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic. | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
| methocarbamol | 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester. methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer. Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206) | aromatic ether; carbamate ester; secondary alcohol | |
| methoctramine | aromatic ether; tetramine | muscarinic antagonist | |
| doxorubicin hydrochloride | folic acids | ||
| methoxsalen | methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation. | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
| methoxychlor | Methoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects. | organochlorine insecticide | |
| nocodazole | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator | |
| methyl parathion | Methyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor. parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4. | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin |
| 3,7-bis(dimethylamino)phenothiazin-5-ium | 3,7-bis(dimethylamino)phenothiazin-5-ium : An organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'. | organic cation | |
| methyl methanesulfonate | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen | |
| methylphenidate | methyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group. methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy. Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE. | beta-amino acid ester; methyl ester; piperidines | |
| metoclopramide | metoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine. Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic. | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
| metoprolol | metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1. Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS. | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
| metronidazole | metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS. | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
| mexiletine | mexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol. Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties. | aromatic ether; primary amino compound | anti-arrhythmia drug |
| mianserin | mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere. Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
| miconazole | 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes. Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion. | dichlorobenzene; ether; imidazoles | |
| midazolam | midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively. Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH. | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
| milrinone | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent | |
| minaprine | minaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structure | morpholines; pyridazines; secondary amine | antidepressant; antiparkinson drug; cholinergic drug; dopamine uptake inhibitor; serotonin uptake inhibitor |
| minoxidil | minoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6. Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371) | dialkylarylamine; tertiary amino compound | |
| mirtazapine | Mirtazapine: A piperazinoazepine tetracyclic compound that enhances the release of NOREPINEPHRINE and SEROTONIN through blockage of presynaptic ALPHA-2 ADRENERGIC RECEPTORS. It also blocks both 5-HT2 and 5-HT3 serotonin receptors and is a potent HISTAMINE H1 RECEPTOR antagonist. It is used for the treatment of depression, and may also be useful for the treatment of anxiety disorders. | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
| mitotane | Mitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression. | diarylmethane | |
| mitoxantrone | mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. Mitoxantrone: An anthracenedione-derived antineoplastic agent. | dihydroxyanthraquinone | analgesic; antineoplastic agent |
| moclobemide | moclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties. | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
| modafinil | 2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group. modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals. Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS. | monocarboxylic acid amide; sulfoxide | |
| moperone | moperone: RN given refers to parent cpd; structure | aromatic ketone | |
| mosapramine | 1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(2-oxohexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-1'-yl)propyl group. mosapramine : A racemate comprising equimolar amounts of (R)- and (S)-mosapramine. It is a second-generation antipsychotic used for the treatment of schizophrenia. mosapramine: structure given in first source | azaspiro compound; dibenzoazepine; organochlorine compound; tertiary amino compound | |
| entinostat | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor | |
| muscimol | muscimol : A member of the class of isoxazoles that is 1,2-oxazol-3(2H)-one substituted by an aminomethyl group at position 5. It has been isolated from mushrooms of the genus Amanita. Muscimol: A neurotoxic isoxazole isolated from species of AMANITA. It is obtained by decarboxylation of IBOTENIC ACID. Muscimol is a potent agonist of GABA-A RECEPTORS and is used mainly as an experimental tool in animal and tissue studies. | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
| 1,3-dicyclohexylurea | 1,3-dicyclohexylurea: degradation product of 1-(2-chloroethyl)-3- cyclohexyl-1-nitrosourea; structure | ureas | |
| deet | N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide. | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
| 1-(3-trifluoromethylphenyl)piperazine | 1-(3-(trifluoromethyl)phenyl)piperazine : A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. 1-(3-trifluoromethylphenyl)piperazine: acts as serotonin agonist; structure | (trifluoromethyl)benzenes; N-arylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
| acecainide | Acecainide: A major metabolite of PROCAINAMIDE. Its anti-arrhythmic action may cause cardiac toxicity in kidney failure. N-acetylprocainamide : A benzamide obtained via formal condensation of 4-acetamidobenzoic acid and 2-(diethylamino)ethylamine. | acetamides; benzamides | anti-arrhythmia drug |
| way 151693 | |||
| fg 7142 | FG 7142: benzodiazepine receptor agonist | beta-carbolines | |
| clorgyline | clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE. | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
| deoxyepinephrine | Deoxyepinephrine: Sympathomimetic, vasoconstrictor agent. | catecholamine | |
| fenamic acid | fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd | aminobenzoic acid; secondary amino compound | membrane transport modulator |
| etoposide phosphate | |||
| nabumetone | nabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs. Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS. | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
| nadolol | tetralins | ||
| nafamostat | nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic | benzoic acids; guanidines | |
| nafoxidine | Nafoxidine: An estrogen antagonist that has been used in the treatment of breast cancer. | benzenes; naphthalenes; ring assembly | |
| naftopidil | piperazines | ||
| naled | naled : An dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union. Naled: An organophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide. | dialkyl phosphate; organobromine compound; organochlorine compound; organophosphate insecticide | acaricide; agrochemical; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| nalidixic acid | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor | |
| nan 190 | 1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine: RN from Toxlit NAN 190 : An N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group. | N-alkylpiperazine; N-arylpiperazine; phthalimides | serotonergic antagonist |
| naphazoline | Naphazoline: An adrenergic vasoconstrictor agent used as a decongestant. | naphthalenes | |
| nefazodone | nefazodone: may be useful as an opiate adjunct | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
| nemonapride | N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide : A benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine. | benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline | |
| neostigmine | neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor. Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier. | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| nialamide | Nialamide: An MAO inhibitor that is used as an antidepressive agent. | organonitrogen compound; organooxygen compound | |
| nicardipine | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine substituted by a methyl, {2-[benzyl(methyl)amino]ethoxy}carbonyl, 3-nitrophenyl, methoxycarbonyl and methyl groups at positions 2, 3, 4, 5 and 6, respectively. nicardipine : A racemate comprising equimolar amounts of (R)- and (S)-nicardipine. It is a calcium channel blocker which is used to treat hypertension. Nicardipine: A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents. | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
| niclosamide | niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48) | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
| nifedipine | Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure. | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
| nifekalant | amine | ||
| nifenazone | nifenazone: RN given refers to parent cpd; structure | pyrazoles; ring assembly | |
| niflumic acid | Niflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis. | aromatic carboxylic acid; pyridines | |
| nilutamide | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent | |
| nimesulide | nimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups. nimesulide: structure | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
| nimetazepam | nimetazepam : A nitrazepam which is substituted at positions 1 by a methyl group. It is used as an anticonvulsant and as a hypnotic for the short-term management of insomnia. | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
| nimodipine | nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm. Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure. | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
| nipecotic acid | nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. nipecotic acid: RN given refers to cpd without isomeric designation | beta-amino acid; piperidinemonocarboxylic acid | |
| nisoldipine | methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris. nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris. Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina. | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
| nisoxetine | nisoxetine : A secondary amino compound that is N-methyl-3-phenylpropan-1-amine substituted at position 3 by a 2-methoxyphenoxy group. nisoxetine: potent inhibitor for norepinephrine uptake into rat brain synaptosomes & brain; NM refers to (+-)-isomer; RN given refers to parent cpd; structure | aromatic ether; secondary amino compound | adrenergic uptake inhibitor; antidepressant |
| nitrazepam | nitrazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome). Nitrazepam: A benzodiazepine derivative used as an anticonvulsant and hypnotic. | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
| nitrendipine | nitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension. Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive. | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
| nomifensine | nomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively. Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266) | isoquinolines | dopamine uptake inhibitor |
| masoprocol | nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata) | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
| norfloxacin | norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase. Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE. | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
| cm 7116 | norflutoprazepam: structure | benzodiazepine | |
| norfluoxetine | norfluoxetine: metabolite of fluoxetine; RN given refers to parent cpd without isomeric designation | (trifluoromethyl)benzenes | |
| nortriptyline | nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline. Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions. | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
| 5-nitro-2-(3-phenylpropylamino)benzoic acid | 5-nitro-2-(3-phenylpropylamino)benzoic acid: structure given in first source; chloride channel antagonist | nitrobenzoic acid | |
| ns 1619 | NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca). NS 1619: structure given in first source | (trifluoromethyl)benzenes; benzimidazoles; phenols | potassium channel opener |
| nu2058 | NU2058: structure in first source | ||
| nu6102 | NU6102: structure in first source | ||
| nylidrin | Nylidrin: A beta-adrenergic agonist. Nylidrin causes peripheral vasodilation, a positive inotropic effect, and increased gastric volume of gastric juice. It is used in the treatment of peripheral vascular disorders and premature labor. | alkylbenzene | |
| octopamine | octopamine : A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates. Octopamine: An alpha-adrenergic sympathomimetic amine, biosynthesized from tyramine in the CNS and platelets and also in invertebrate nervous systems. It is used to treat hypotension and as a cardiotonic. The natural D(-) form is more potent than the L(+) form in producing cardiovascular adrenergic responses. It is also a neurotransmitter in some invertebrates. | phenylethanolamines; tyramines | neurotransmitter |
| ofloxacin | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION. | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
| olomoucine | olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor. olomoucine: inhibits protein P34CDC2 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| omeprazole | 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole. Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
| ondansetron | Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties. | carbazoles | |
| orphenadrine | orphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol. Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm. | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
| oxaprozin | oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis. Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE. | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
| oxatomide | oxatomide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug. oxatomide: structure; an anti-allergic & an anti-asthmatic | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
| oxazepam | oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5. Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia. | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
| oxibendazole | oxibendazole: structure | benzimidazoles; carbamate ester | |
| oxidopamine | oxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease). Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals. | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
| oxprenolol | Oxprenolol: A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety. | aromatic ether | |
| oxybenzone | oxybenzone : A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively. | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
| oxybutynin | oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder. oxybutynin: RN given refers to parent cpd | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
| oxymetazoline | oxymetazoline : A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion. Oxymetazoline: A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251) | carboxamidine; imidazolines; phenols | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
| oxyphenbutazone | oxyphenbutazone : A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. Oxyphenbutazone: A non-steroidal anti-inflammatory drug. Oxyphenbutazone eyedrops have been used abroad in the management of postoperative ocular inflammation, superficial eye injuries, and episcleritis. (From AMA, Drug Evaluations Annual, 1994, p2000) It had been used by mouth in rheumatic disorders such as ankylosing spondylitis, osteoarthritis, and rheumatoid arthritis but such use is no longer considered justified owing to the risk of severe hematological adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p27) | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
| quinone | 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene. benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
| 4-iodoclonidine | 4-iodoclonidine: structure given in first source | ||
| palmidrol | palmidrol: a cannabinoid receptor-inactive eCB-related molecule used as prophylactic in helping to prevent respiratory viral infection palmitoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid. | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
| pamidronate | phosphonoacetic acid | ||
| pantoprazole | pantoprazole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2. Pantoprazole: 2-pyridinylmethylsulfinylbenzimidazole proton pump inhibitor that is used in the treatment of GASTROESOPHAGEAL REFLUX and PEPTIC ULCER. | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
| papaverine | papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels. | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
| pargyline | Pargyline: A monoamine oxidase inhibitor with antihypertensive properties. | aromatic amine | |
| parthenolide | germacranolide | ||
| patulin | patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems. | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
| pd 153035 | 4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7. | aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
| pd 158780 | aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| pd168393 | PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively. | acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline | epidermal growth factor receptor antagonist |
| pd 169316 | 2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitor | imidazoles | |
| pd 98059 | 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
| pentamidine | pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
| pentobarbital | pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236) | barbiturates | GABAA receptor agonist |
| pentoxifylline | oxopurine | ||
| perhexiline | Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis. | piperidines | cardiovascular drug |
| periciazine | periciazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-(4-hydroxypiperidin-1-yl)propyl group at the nitrogen atom and a carbonitrile group at position 2. Periciazine is a first generation antipsychotic. periciazine: was heading 1963-94 (Prov 1963-72); use PHENOTHIAZINES to search PROPERICIAZINE 1966-94 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
| perphenazine | perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10. Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE. | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
| phenacetin | Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
| phenazine | azaarene; heteranthrene; mancude organic heterotricyclic parent; phenazines; polycyclic heteroarene | ||
| phenindione | Phenindione: An indandione that has been used as an anticoagulant. Phenindione has actions similar to WARFARIN, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234) | aromatic ketone; beta-diketone | anticoagulant |
| phenobarbital | phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations. | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
| phenolphthalein | Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic. | phenols | |
| phenothrin | phenothrin: RN given refers to cpd without isomeric designation; structure | cyclopropanecarboxylate ester | pyrethroid ester insecticide |
| phenoxybenzamine | Phenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator. | aromatic amine | |
| 4-phenylbutyric acid | 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation. 4-phenylbutyric acid: RN refers to the parent cpd | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
| oxophenylarsine | oxophenylarsine: inhibits protein-tyrosine-phosphatase phenylarsine oxide : An arsine oxide derived from phenylarsine. | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
| phenyl biguanide | phenyl biguanide : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group. phenyl biguanide: RN given refers to parent cpd | guanidines | central nervous system drug |
| phenylbutazone | phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS. | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
| phenylmethylsulfonyl fluoride | phenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group. Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex. | acyl fluoride | serine proteinase inhibitor |
| phloretin | dihydrochalcones | antineoplastic agent; plant metabolite | |
| phosalone | phosalone : A member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide. phosalone: structure | 1,3-benzoxazoles; carbamate ester; organochlorine insecticide; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| phosphoglycolohydroxamate | phosphoglycolohydroxamate: inhibits DHAP (dihydroxyacetone phosphate)-converting enzymes; structure phosphoglycolohydroxamic acid : The hydroxamate of phosphoglycolic acid. | amidoalkyl phosphate; hydroxamic acid | EC 5.3.1.1 (triose-phosphate isomerase) inhibitor |
| o-phthalaldehyde | o-Phthalaldehyde: A reagent that forms fluorescent conjugation products with primary amines. It is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids. phthalaldehyde : A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. | benzaldehydes; dialdehyde | epitope |
| moxonidine | moxonidine: structure given in first source | organohalogen compound; pyrimidines | |
| 1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | pyrroloindole | ||
| 3,3',4,5'-tetrahydroxystilbene | stilbenoid | ||
| pifithrin | pifithrin: a tetrahydrobenzothiazol; inhibitor of P53 that protects mice from the side effects of cancer therapy; structure in first source | aromatic ketone | |
| pilsicainide | pilsicainide : A secondary carboxamide resulting from the formal condensation of the amino group of 2,6-dimethylaniline with the carboxy group of (tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetic acid. It is a sodium channel blocker which is used as an antiarrhythmic drug for the management of atrial tachyarrhythmias in Japan. pilsicainide: structure given in first source | organic heterobicyclic compound; secondary carboxamide | anti-arrhythmia drug; sodium channel blocker |
| pindolol | pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol. Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638) | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
| pioglitazone | pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity. Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS. | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic |
| piperazine | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug | |
| piperidine-4-sulfonic acid | piperidine-4-sulfonic acid: specific GABA agonist | ||
| pipobroman | pipobroman : An N-acylpiperazine that is piperazine in which each of the nitrogens has been acylated by a 3-bromopropionoyl group. An anti-cancer drug. Pipobroman: An antineoplastic agent that acts by alkylation. | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
| piracetam | Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent. | organonitrogen compound; organooxygen compound | |
| pirenperone | aromatic ketone | ||
| pj-34 | PJ34 : A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties. | phenanthridines; secondary carboxamide; tertiary amino compound | angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent |
| pomiferin | pomiferin: structure in first source | isoflavanones | |
| 1-NA-PP1 | pyrazolopyrimidine | tyrosine kinase inhibitor | |
| ag 1879 | 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
| 1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid | 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid : An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6. pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid: a novel antagonist that selectively blocks P2 purinoceptor receptors; a useful tool to study co-transmission in tissues when ATP and coexisting neurotransmitters act in concert | arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde | purinergic receptor P2X antagonist |
| ppm 18 | naphthoquinone | ||
| practolol | practolol : N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias. Practolol: A beta-1 adrenergic antagonist that has been used in the emergency treatment of CARDIAC ARRYTHMIAS. | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
| ono 1078 | pranlukast: SRS-A antagonist; leukotriene D4 receptor antagonist | chromones | |
| pyranoprofen | pyranoprofen: RN given refers to unlabled parent cpd; structure given in first source | pyridochromene | |
| prazepam | Prazepam: A benzodiazepine that is used in the treatment of ANXIETY DISORDERS. | benzodiazepine | |
| prazosin | prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively. Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION. | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| primaquine | primaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia. Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404) | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
| primidone | primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures. Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite. | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
| proadifen | Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity. | diarylmethane | |
| probenecid | probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups. Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy. | benzoic acids; sulfonamide | uricosuric drug |
| procainamide | procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE. | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
| procaterol | Procaterol: A long-acting beta-2-adrenergic receptor agonist. | quinolines | |
| prochlorperazine | prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position. Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612) | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
| procyclidine | procyclidine : A tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3. Procyclidine: A muscarinic antagonist that crosses the blood-brain barrier and is used in the treatment of drug-induced extrapyramidal disorders and in parkinsonism. | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
| proglumetacin | proglumetacin : A carboxylic ester obtained by formal condensation of the carboxy group of indometacin with the hydroxy group of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate. Used (as its dimaleate salt) to control pain and inflammation associated with musculoskeletal and joint disorders. Following oral administration, it is metabolised to indometacin and proglumide, a drug with antisecretory effects that helps prevent injury to the stomach lining. | aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
| promazine | promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position. Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic. | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
| promethazine | promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety. Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals. | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
| prometone | prometon : A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group. prometone: structure | diamino-1,3,5-triazine; methoxy-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| prometryne | prometryn : A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methylsulfanediyl group at position 6. Prometryne: A triazine used as a selective pre- and post-emergence herbicide. (From Merck Index, 11th ed) | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| pronethalol | pronethalol: was heading 1964-94 (Prov 1964-66); NAPHTHYLISOPROTERENOL was see PRONETHALOL 1977-94; use ETHANOLAMINES to search PRONETHALOL 1966-94 | naphthalenes | |
| propachlor | propachlor : An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent. propachlor: structure | anilide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
| propafenone | propafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias. Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity. | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
| propanil | propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat. Propanil: A chlorinated anilide that is used as an herbicide. | anilide; dichlorobenzene | herbicide |
| propargite | Omite: structure | sulfite ester; terminal acetylenic compound | sulfite ester acaricide |
| propazine | propazine : A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. propazine: relatively non-toxic triazine herbicide; minor descriptor (75-82); online & Index Medicus search TRIAZINES (75-82) | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| propentofylline | oxopurine | ||
| propidium | Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
| propofol | propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS. | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
| propoxur | propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. Propoxur: A carbamate insecticide. | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| propranolol | propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs. | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
| propyl gallate | Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils. | trihydroxybenzoic acid | |
| protoporphyrin ix | protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins. protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685 | ||
| psilocin | psilocin : A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms"). psilocin: psilocybine minus the phosphate ester; RN given refers to parent cpd; structure | hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid | drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist |
| pyridostigmine | pyridinium ion | ||
| pyrilamine | mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group. Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies. | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
| pyrimethamine | Maloprim: contains above 2 cpds | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| pyroxamide | aromatic amide | ||
| quetiapine | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist | |
| 1,2,5,8-tetrahydroxy anthraquinone | 1,2,5,8-tetrahydroxy anthraquinone: structure in first source quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions. | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| quipazine | Quipazine: A pharmacologic congener of serotonin that contracts smooth muscle and has actions similar to those of tricyclic antidepressants. It has been proposed as an oxytocic. | piperazines; pyridines | |
| 6-nitroquipazine | 6-nitroquipazine: structure given in first source | nitro compound; quinolines | |
| n-methylquipazine | N-methylquipazine : An aminoquinoline that consists of quinoline in which the hydrogen at position 2 is substituted by a 4-methylpiperazin-1-yl group. A 5-HT3 agonist. Has almost the same affinity for 5-HT3 sites as quipazine but unlike the latter, does not bind to 5-HT1B sites. N-methylquipazine: structure in first source | aminoquinoline; N-alkylpiperazine; N-arylpiperazine | serotonergic agonist |
| 7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol | benzazepine; organochlorine compound; tertiary amino compound | dopaminergic antagonist | |
| rabeprazole | Rabeprazole: A 4-(3-methoxypropoxy)-3-methylpyridinyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| 3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | indoles | ||
| raloxifene | raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| ranitidine | aralkylamine | ||
| rbi 257 | RBI 257: ligand for dopamine D4 receptors; structure in first source | ||
| resmethrin | resmethrin: synthetic pyrethroid insecticide used against a variety of insects; online & Index Medicus search PYRETHRUMS (75-76), PYRETHRINS (77-82); Scourge is tradename | cyclopropanecarboxylate ester; furans | agrochemical; pyrethroid ester insecticide |
| resorcinol | resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
| pf 5901 | alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonist | quinolines | |
| 1,6-bis(cyclohexyloximinocarbonyl)hexane | 1,6-bis(cyclohexyloximinocarbonyl)hexane: selective inhibitor of canine platelet diglyceride lipase | carbamate ester; organonitrogen compound | |
| riluzole | Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS. | benzothiazoles | |
| risperidone | risperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2. Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA. | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
| ritanserin | ritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action. Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure. | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
| rizatriptan | rizatriptan: structure given in first source; RN given refers to benzoate | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
| ro 15-4513 | Ro 15-4513: a partial inverse agonist of benzodiazepine receptors | organic heterotricyclic compound; organonitrogen heterocyclic compound | |
| ro 31-8220 | Ro 31-8220: a protein kinase C inhibitor | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| 4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases. | methoxybenzenes | |
| rolipram | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | |
| ronidazole | ronidazole : A carbamate ester that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl and (carbamoyloxy)methyl groups, respectively. An antiprotozoal agent, it is used in veterinary medicine for the treatment of histomoniasis and swine dysentery. Ronidazole: Antiprotozoal and antimicrobial agent used mainly in veterinary practice. | C-nitro compound; carbamate ester; imidazoles | antiparasitic agent; antiprotozoal drug |
| ropinirole | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist | |
| aurin | aurin: structure | diarylmethane | |
| roxarsone | roxarsone : An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl. Roxarsone: An arsenic derivative which has anticoccidial action and promotes growth in animals. | 2-nitrophenols; organoarsonic acid | agrochemical; animal growth promotant; antibacterial drug; coccidiostat |
| 3-(3-cyanophenyl)-n-n-propylpiperidine | 3-(3-cyanophenyl)-N-n-propylpiperidine: a dopamine autoreceptor antagonist; RN given for (+-)-isomer | ||
| saccharin | saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. Saccharin: Flavoring agent and non-nutritive sweetener. | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
| salicylamide | salamide: a major impurity of hydrochlorothiazide; structure in first source | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
| salmeterol xinafoate | 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol : A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine. salmeterol : A racemate consisting of equal parts of (R)- and (S)-salmeterol. It is a potent and selective beta2-adrenoceptor agonist (EC50 = 5.3 nM). Unlike other beta2 agonists, it binds to the exo-site domain of beta2 receptors, producing a slow onset of action and prolonged activation. | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
| sanguinarine | benzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family. | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
| sb 206553 | SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first source | pyrroloindole | |
| sb 220025 | SB 220025: inhibits p38 mitogen-activated protein kinase; structure in first source SB220025 : Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively. | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| sb 239063 | SB 239063: structure in first source SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. | imidazoles | |
| sb 202190 | 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| suberoyl bis-hydroxamic acid | suberoyl bis-hydroxamic acid: antineoplastic, Histone Deacetylase inhibitor | hydroxamic acid | |
| scriptaid | scriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first source | isoquinolines | |
| dpi 201-106 | DPI 201-106: structure given in first source | diarylmethane | |
| sdz 205-557 | methoxybenzoic acid | ||
| secobarbital | secobarbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups. Secobarbital: A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity. | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
| carbamylhydrazine | carbamylhydrazine: RN given refers to parent cpd | carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas | |
| sibutramine | sibutramine: serotonin and norepinephrine transporter inhibitor; Meridia is tradename for sibutramine hydrochloride | organochlorine compound; tertiary amino compound | anti-obesity agent; serotonin uptake inhibitor |
| silymarin | flavonolignan | ||
| sk&f 97541 | 3-aminopropyl(methyl)phosphinic acid: structure given in first source; GABA-A receptor antagonist | ||
| sobuzoxane | sobuzoxane: used in treatment of leukemia L1210 | organic molecular entity | |
| risedronic acid | Risedronic Acid: A pyridine and diphosphonic acid derivative that acts as a CALCIUM CHANNEL BLOCKER and inhibits BONE RESORPTION. | pyridines | |
| sotalol | sotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias. Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias. | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
| 4-phenylbutyric acid, sodium salt | sodium phenylbutyrate : The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug |
| spiperone | spiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively. Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA. | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
| fenofibrate | benzochromenone; delta-lactone; naphtho-alpha-pyrone | platelet aggregation inhibitor; Sir2 inhibitor | |
| sq 22536 | 9-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor. | nucleoside analogue; oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor |
| ACar 18-0 | O-acylcarnitine | ||
| imatinib | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | |
| streptonigrin | pyridines; quinolone | antimicrobial agent; antineoplastic agent | |
| vorinostat | vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME. | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
| succinylacetone | 4,6-dioxoheptanoic acid : A dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia. succinylacetone: inhibitor of heme biosynthesis | beta-diketone; dioxo monocarboxylic acid | human metabolite |
| sulconazole | 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group. sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections. sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
| sulfacetamide | sulfacetamide : A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen. Sulfacetamide: An anti-bacterial agent that is used topically to treat skin infections and orally for urinary tract infections. | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfamethoxazole | sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position. Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208) | isoxazoles; substituted aniline; sulfonamide; sulfonamide antibiotic | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
| sulfanilamide | substituted aniline; sulfonamide; sulfonamide antibiotic | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor | |
| sulfapyridine | sulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position. Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases. | pyridines; substituted aniline; sulfonamide; sulfonamide antibiotic | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
| sulfasalazine | sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907) | ||
| sulfinpyrazone | Sulfinpyrazone: A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties. | pyrazolidines; sulfoxide | uricosuric drug |
| sulfisoxazole | sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms. | isoxazoles; sulfonamide; sulfonamide antibiotic | antibacterial drug; drug allergen |
| sulforaphane | sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. sulforaphane: from Cardaria draba L. | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
| 2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
| sulpiride | sulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine. Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed) | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
| sumatriptan | sumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults. Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS. | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
| suprofen | suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group. Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic. | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
| suramin | suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties. | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
| suxibuzone | suxibuzone : A pyrazolidine that is phenylbutazone which is substituted by a 3-carboxypropanoylmethyl group at the 4-position. Suxibuzone is a prodrug for phenylbutazone and is commonly used as an anti-inflammatory drug in horses. | hemisuccinate; monocarboxylic acid; pyrazolidines | antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug |
| gatifloxacin | gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes. Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS. | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| tazarotene | tazarotene : The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin. tazarotene: a topical acetylenic retinoid; a topical kerytolytic | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
| temazepam | Temazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent. | benzodiazepine | |
| temefos | Temefos: An organothiophosphate insecticide. temephos : An organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. | organic sulfide; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; ectoparasiticide |
| terazosin | Terazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasia | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
| terbutaline | terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group. Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic. | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
| terfenadine | Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME. | diarylmethane | |
| tetracaine | tetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia. Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia. | benzoate ester; tertiary amino compound | local anaesthetic |
| tetraethylammonium | Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90) | quaternary ammonium ion | |
| tetraisopropylpyrophosphamide | Tetraisopropylpyrophosphamide: N,N',N'',N'''-Tetraisopropylpyrophosphamide. A specific inhibitor of pseudocholinesterases. It is commonly used experimentally to determine whether pseudo- or acetylcholinesterases are involved in an enzymatic process. | phosphoramide | |
| tetrahydroxy-1,4-quinone | tetrahydroxy-1,4-benzoquinone : A hydroxybenzoquinone in which all four protons of the benzoquinone structure are substituted by hydroxy groups. A systemic keratolytic, it is normally supplied as its hydrate (CHEBI:137471). tetrahydroxy-1,4-quinone: structure | hydroxybenzoquinone | keratolytic drug |
| thiabendazole | Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
| thiethylperazine | thiethylperazine : A member of the class of phenothiazines that is perazine substituted by a ethylsulfanyl group at position 2. Thiethylperazine: A dopamine antagonist that is particularly useful in treating the nausea and vomiting associated with anesthesia, mildly emetic cancer chemotherapy agents, radiation therapy, and toxins. This piperazine phenothiazine does not prevent vertigo or motion sickness. (From AMA Drug Evaluations Annual, 1994, p457) | N-methylpiperazine; phenothiazines | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
| thioridazine | thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA. | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
| thiotepa | Thiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed). | aziridines | |
| thiram | thiram : An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment. Thiram: A dithiocarbamate chemical, used commercially in the rubber processing industry and as a fungicide. In vivo studies indicate that it inactivates the enzyme GLUTATHIONE REDUCTASE. It has mutagenic activity and may induce chromosomal aberrations. | organic disulfide | antibacterial drug; antifungal agrochemical; antiseptic drug |
| tiapride | benzamides | ||
| tiaprofenic acid | tiaprofenic acid : An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group. tiaprofenic acid: RN given refers to parent cpd; structure | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
| tilorone | tilorone : A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug. Tilorone: An antiviral agent used as its hydrochloride. It is the first recognized synthetic, low-molecular-weight compound that is an orally active interferon inducer, and is also reported to have antineoplastic and anti-inflammatory actions. | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
| tinidazole | tinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent. Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections. | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
| tinoridine | tinoridine: proposed anti-inflammatory agent; minor descriptor (75-86); on-line & INDEX MEDICUS seach PYRIDINES (75-86) | thienopyridine | |
| tioconazole | 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2. tioconazole : A racemate comprising equimolar amounts of (R)- and (S)-tioconazole. | dichlorobenzene; ether; imidazoles; thiophenes | |
| tipepidine | tipepidine: RN given refers to parent cpd | piperidines | |
| tizanidine | tizanidine : 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites. tizanidine: RN given refers to parent cpd; structure | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
| tolazamide | tolazamide : An N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus. Tolazamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
| tolbutamide | tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position. Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290) | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
| tolmetin | tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN. | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
| tolnaftate | monothiocarbamic ester | antifungal drug | |
| (1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid | (1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid: a GABA-C receptor antagonist; structure in first source | ||
| ici 136,753 | pyrazolopyridine | ||
| ultram | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol : A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. | aromatic ether; tertiary alcohol; tertiary amino compound | |
| 2-phenylcyclopropan-1-amine | 2-phenylcyclopropan-1-amine : A member of the class of cyclopropanes carrying amino and phenyl substituents at positions 1 and 2 respectively. | benzenes; cyclopropanes; primary amine | |
| trazodone | trazodone : An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group. Trazodone: A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309) | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
| triacetin | triacetin : A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. Triacetin: A triglyceride that is used as an antifungal agent. | triglyceride | adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent |
| triamterene | triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. | pteridines | diuretic; sodium channel blocker |
| triazolam | Triazolam: A short-acting benzodiazepine used in the treatment of insomnia. Some countries temporarily withdrew triazolam from the market because of concerns about adverse reactions, mostly psychological, associated with higher dose ranges. Its use at lower doses with appropriate care and labeling has been reaffirmed by the FDA and most other countries. | triazolobenzodiazepine | sedative |
| bromoform | bromoform: structure | bromohydrocarbon; bromomethanes | |
| trichlormethiazide | trichlormethiazide : A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension. Trichlormethiazide: A thiazide diuretic with properties similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830) | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
| 2,2',2''-trichlorotriethylamine | 2,2',2''-trichlorotriethylamine: RN given refers to parent cpd; structure | ||
| triclosan | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic | |
| trientine | 2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens. TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group. Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION. | polyazaalkane; tetramine | copper chelator |
| trifluoperazine | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug | |
| trifluperidol | Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621) | aromatic ketone | |
| triflupromazine | triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position. Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic. | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
| trifluralin | trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. Trifluralin: A microtubule-disrupting pre-emergence herbicide. | (trifluoromethyl)benzenes; C-nitro compound; substituted aniline | agrochemical; environmental contaminant; herbicide; xenobiotic |
| trimethadione | trimethadione : An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent. Trimethadione: An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378) | oxazolidinone | anticonvulsant; geroprotector |
| trimethoprim | trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported. | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
| trimetrexate | Trimetrexate: A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect. | ||
| trimipramine | trimipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant. Trimipramine: Tricyclic antidepressant similar to IMIPRAMINE, but with more antihistaminic and sedative properties. | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
| trioxsalen | antipsoriatic : A drug used to treat psoriasis. lactone : Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. trioxsalen : 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis. Trioxsalen: Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo. | psoralens | dermatologic drug; photosensitizing agent |
| octoxynol | Triton X-100 : A poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-(2,4,4-trimethylpentan-3-yl)phenyl ether. | alkylbenzene | |
| troglitazone | Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity. | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
| tyramine | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter | |
| tyrphostin a9 | alkylbenzene | geroprotector | |
| delavirdine | delavirdine : The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection. Delavirdine: A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
| undecylenic acid | 10-undecenoic acid : An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems. undecenoic acid : A C11, straight-chain fatty acid carrying a C=C double bond at any position. undecylenic acid: a fatty acid with a terminal double bond | undecenoic acid | antifungal drug; plant metabolite |
| 5-methylurapidil | |||
| urethane | carbamate ester | fungal metabolite; mutagen | |
| 6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone | cyclodepsipeptide | ||
| venlafaxine | venlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
| vesamicol | vesamicol: RN given refers to parent cpd; structure | piperidines | |
| vesnarinone | organic molecular entity | ||
| vigabatrin | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor | |
| viloxazine | Viloxazine: A morpholine derivative used as an antidepressant. It is similar in action to IMIPRAMINE. | aromatic ether | |
| n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-n-(2-pyridinyl)cyclohexanecarboxamide | piperazines | ||
| wb 4101 | N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist. | aromatic ether; benzodioxine; secondary amino compound | alpha-adrenergic antagonist |
| whi p180 | |||
| pirinixic acid | pirinixic acid: structure | aryl sulfide; organochlorine compound; pyrimidines | |
| 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine | 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine: adenosine receptor antagonist | ||
| xylometazoline | xylometazoline: RN given refers to parent cpd; structure | alkylbenzene | |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
| ici 204,219 | zafirlukast: a leukotriene D4 receptor antagonist | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
| zaleplon | zaleplon : A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position. zaleplon: an azabicyclo(4.3.0)nonane; a nonbenzodiazepine; one of the so-called of Z drugs (zopiclone, eszopiclone, zolpidem, and zaleplon) for which there is some correlation with tumors; a hypnotic with less marked effect on psychomotor functions compared to lorazepam | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
| zm 336372 | N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first source | benzamides | |
| zolpidem | zolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position. Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA. | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
| zomepirac | zomepirac: RN given refers to parent cpd; structure | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
| zonisamide | zonisamide : A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position. Zonisamide: A benzisoxazole and sulfonamide derivative that acts as a CALCIUM CHANNEL blocker. It is used primarily as an adjunctive antiepileptic agent for the treatment of PARTIAL SEIZURES, with or without secondary generalization. | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
| zotepine | zotepine: structure | dibenzothiepine; tertiary amino compound | alpha-adrenergic drug; second generation antipsychotic; serotonergic drug |
| donepezil hydrochloride | donepezil hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)- donepezil hydrochloride. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. | ||
| guanidine hydrochloride | one-carbon compound; organic chloride salt | protein denaturant | |
| hydrocortisone acetate | hydrocortisone acetate: RN given refers to cpd without isomeric designation | cortisol ester; tertiary alpha-hydroxy ketone | |
| cortisone acetate | Cortisone Acetate: The acetate ester of cortisone that is used mainly for replacement therapy in adrenocortical insufficiency and in the treatment of many allergic and inflammatory disorders. | corticosteroid hormone | |
| mitomycin | mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis. | mitomycin | alkylating agent; antineoplastic agent |
| oxyphenonium bromide | |||
| corticosterone | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite | |
| prednisolone | prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states. | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
| estriol | chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl. hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
| lysergic acid diethylamide | lysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine. Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood. | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
| reserpine | reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
| cephaloridine | cefaloridine : A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C. Cephaloridine: A cephalosporin antibiotic. | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
| phentolamine | phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension. Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease. | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
| 6-methylthiopurine | 6-methylthiopurine : A thiopurine that is 9H-purine substituted by a methylsulfanyl group at position 6. | thiopurine | |
| 2,5-dichlorobenzoic acid | 2,5-dichlorobenzoic acid : A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 5 are substituted by chloro groups. | chlorobenzoic acid; dichlorobenzene | |
| 2,4-dichlorobenzoic acid | 2,4-dichlorobenzoic acid : A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. 2,4-dichlorobenzoic acid: structure given in first source | chlorobenzoic acid; dichlorobenzene | bacterial metabolite |
| thymidine | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite | |
| floxuridine | floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
| piperonyl butoxide | benzodioxoles | pesticide synergist | |
| procaine hydrochloride | Gerovital H3: Contains mainly procaine & small amounts of benzoic acid, potassium metabisulfite & disodium phosphate | organic molecular entity | |
| benzimidazole | 1H-benzimidazole : The 1H-tautomer of benzimidazole. | benzimidazole; polycyclic heteroarene | |
| 2-aminophenol | aminophenol | bacterial metabolite | |
| 3,3',5-triiodothyroacetic acid | tiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome. | ||
| 3,3',5-triiodothyropropionic acid | aromatic ether | ||
| isoproterenol hydrochloride | catechols | ||
| 3,4-dichlorobenzoic acid | 3,4-dichlorobenzoic acid : A chlorobenzoic acid carrying chloro substituents at positions 3 and 4. 3,4-dichlorobenzoic acid: structure given in first source | chlorobenzoic acid | |
| thyroxine | thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism. | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine; thyroxine zwitterion | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
| dextroamphetamine | (S)-amphetamine : A 1-phenylpropan-2-amine that has S configuration. Dextroamphetamine: The d-form of AMPHETAMINE. It is a central nervous system stimulant and a sympathomimetic. It has also been used in the treatment of narcolepsy and of attention deficit disorders and hyperactivity in children. Dextroamphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulating release of monamines, and inhibiting monoamine oxidase. It is also a drug of abuse and a psychotomimetic. | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
| norethindrone acetate | norethisterone acetate : A 3-oxo Delta(4)-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester. | 3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound | progestin; synthetic oral contraceptive |
| spironolactone | spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827) | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
| penicillamine | penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease. | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
| lynestrenol | Lynestrenol: A synthetic progestational hormone used often in mixtures with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL). | steroid | |
| famophos | famophos: structure | organic thiophosphate; organothiophosphate insecticide | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| cysteine | cysteine; cysteine zwitterion; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite | |
| prednisone | prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid. Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver. | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
| estrone | Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
| fluprednisolone | Fluprednisolone: A synthetic glucocorticoid with anti-inflammatory properties. | fluorinated steroid | |
| methylprednisolone acetate | methylprednisolone acetate : An acetate ester resulting from the formal condensation of the 21-hydroxy function of 6alpha-methylprednisolone compound with acetic acid. Methylprednisolone Acetate: Methylprednisolone derivative that is used as an anti-inflammatory agent for the treatment of ALLERGY and ALLERGIC RHINITIS; ASTHMA; and BURSITIS; and for the treatment of ADRENAL INSUFFICIENCY. | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; glucocorticoid; steroid ester; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| androsterone | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone | |
| dehydroepiandrosterone | dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion. | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
| methantheline bromide | xanthenes | ||
| promazine hydrochloride | hydrochloride | ||
| 1,2,5,6-dibenzanthracene | 1,2,5,6-dibenzanthracene: RN given refers to parent cpd | ortho-fused polycyclic arene | mutagen |
| nad | NAD | geroprotector | |
| dichlororibofuranosylbenzimidazole | Dichlororibofuranosylbenzimidazole: An RNA polymerase II transcriptional inhibitor. This compound terminates transcription prematurely by selective inhibition of RNA synthesis. It is used in research to study underlying mechanisms of cellular regulation. | ||
| 2-acetylaminofluorene | 2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines. | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
| azauridine | Azauridine: A triazine nucleoside used as an antineoplastic antimetabolite. It interferes with pyrimidine biosynthesis thereby preventing formation of cellular nucleic acids. As the triacetate, it is also effective as an antipsoriatic. | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
| camylofine | camylofine: RN given refers to parent cpd; structure | alpha-amino acid ester | |
| idoxuridine | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor | |
| metaraminol | metaraminol : A member of the class of phenylethanolamines that is 2-amino-1-phenylethanol substituted by a methyl group at position 2 and a phenolic hydroxy group at position 1. A sympathomimetic agent , it is used in the treatment of hypotension. Metaraminol: A sympathomimetic agent that acts predominantly at alpha-1 adrenergic receptors. It has been used primarily as a vasoconstrictor in the treatment of HYPOTENSION. | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
| pentylenetetrazole | pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis. Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility. | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
| triiodothyronine | 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3. | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
| methyldimethylaminoazobenzene | 3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. Methyldimethylaminoazobenzene: A very potent liver carcinogen. | ||
| mechlorethamine hydrochloride | mechlorethamine hydrochloride : The hydrochloride salt of mechlorethamine. | hydrochloride | antineoplastic agent |
| cantharidin | cantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A. Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally. | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
| tetraethylammonium chloride | tetraethylammonium chloride : A quarternary ammonium chloride salt in which the cation has four ethyl substituents around the central nitrogen. | organic chloride salt; quaternary ammonium salt | potassium channel blocker |
| benz(a)anthracene | benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings. | ortho-fused polycyclic arene; tetraphenes | |
| chloramphenicol | Amphenicol: Chloramphenicol and its derivatives. | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
| aspartic acid | aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter. L-aspartic acid : The L-enantiomer of aspartic acid. | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
| allyl isothiocyanate | allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
| cetrimonium bromide | cetyltrimethylammonium bromide : The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
| chlorobutanol | tertiary alcohol | ||
| vincristine | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator | |
| physostigmine | Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
| sulfamic acid | sulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms. sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure | sulfamic acids | |
| ethinyl estradiol | 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration. Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES. | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
| chlordan | Chlordan: A highly poisonous organochlorine insecticide. The EPA has cancelled registrations of pesticides containing this compound with the exception of its use through subsurface ground insertion for termite control and the dipping of roots or tops of non-food plants. (From Merck Index, 11th ed) | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
| testosterone propionate | androgen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors. Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position. | steroid ester | |
| 9,10-dimethyl-1,2-benzanthracene | 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen. | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
| apomorphine | Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
| methyltestosterone | methyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position. Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL). | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
| promethazine hydrochloride | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative | |
| pyridoxine hydrochloride | pyridoxine hydrochloride : The hydrochloride salt of pyridoxine. | hydrochloride; vitamin B6 | |
| adenosine diphosphate | Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position. | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
| cephalothin | cefalotin : A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections. Cephalothin: A cephalosporin antibiotic. | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
| triphenylethylene | stilbenoid | ||
| 2,3,4,6-tetrachlorophenol | 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified | tetrachlorophenol | xenobiotic metabolite |
| uridine | uridines | drug metabolite; fundamental metabolite; human metabolite | |
| uridine diphosphate | Uridine Diphosphate: A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. | pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
| kanamycin a | kanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components. Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components. | kanamycins | bacterial metabolite |
| bromodeoxyuridine | Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors. | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
| piperoxan | Piperoxan: A benzodioxane alpha-adrenergic blocking agent with considerable stimulatory action. It has been used to diagnose PHEOCHROMOCYTOMA and as an antihypertensive agent. | ||
| phenylephrine | phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent. | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
| n-nitrosomorpholine | N-nitrosomorpholine : A nitrosamine that is morpholine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. A carcinogen and mutagen, it is found in snuff tobacco. | nitrosamine | carcinogenic agent; mutagen |
| levodopa | L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system. | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
| edetic acid | Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
| p-aminoazobenzene | 4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen. p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines. | ||
| p-dimethylaminoazobenzene | p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed) | azobenzenes | |
| acetylcholine chloride | acetylcholine chloride : The chloride salt of acetylcholine, and a parasympatomimetic drug. | quaternary ammonium salt | |
| veratramine | veratramine : A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions. veratramine: structure | piperidine alkaloid | |
| mepazine | mepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position. | phenothiazines | |
| acepromazine | acepromazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10. Acepromazine: A phenothiazine that is used in the treatment of PSYCHOSES. | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
| methoxamine | methoxamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group and the phenyl ring is 2- and 5-substituted with methoxy groups. It is an antihypotensive agent (pressor), an agonist acting directly at alpha-adrenoceptors with selectivity for the alpha-1 adrenoceptor subtype similar to phenylephrine . Methoxamine: An alpha-1 adrenergic agonist that causes prolonged peripheral VASOCONSTRICTION. | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
| adenosine monophosphate | Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
| papaverine hydrochloride | |||
| n-methyltryptamine | N-methyltryptamine: RN given refers to parent cpd | tryptamine alkaloid; tryptamines | metabolite |
| n,n-dimethyltryptamine | N,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain. N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS. | tryptamine alkaloid; tryptamines | |
| 3-hydroxy-2-oxoindole | 3-hydroxyindolin-2-one : An oxindole that is 1,3-dihydro-2H-indol-2-one substituted by a hydroxy group at position 3. 3-hydroxyindolin-2-one: structure in first source | hydroxyindoles; oxindoles | |
| methylene blue | methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN. | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
| zoxazolamine | Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood. | benzoxazole | |
| berlition | (R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties. berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
| androstenedione | androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads. Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL. | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| carbaryl | carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid. Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries. | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
| cytidine monophosphate | cytidine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase. Cytidine Monophosphate: Cytidine (dihydrogen phosphate). A cytosine nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position. | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| cytidine diphosphate | Cytidine Diphosphate: Cytidine 5'-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate. | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite |
| primaquine phosphate | |||
| phenylalanine | L-phenylalanine : The L-enantiomer of phenylalanine. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE. | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| diethyl sulfate | diethyl sulfate : The diethyl ester of sulfuric acid. diethyl sulfate: RN given refers to parent cpd; structure | alkyl sulfate | alkylating agent; apoptosis inducer; carcinogenic agent; mutagen |
| desoxycorticosterone | Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| colchicine | (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
| cytidine | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| uracil mustard | Uracil Mustard: Nitrogen mustard derivative of URACIL. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage. | aminouracil; nitrogen mustard | |
| 1-naphthaldehyde | 1-naphthaldehyde : A naphthaldehyde with a formyl group at position 1. 1-naphthaldehyde: structure naphthaldehyde : An aldehyde in which the organyl group is a naphthyl group. | naphthaldehyde | mouse metabolite |
| cycloheximide | cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis. | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
| ficusin | Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. | psoralens | plant metabolite |
| thiamine hydrochloride | thiamine hydrochloride : A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. | hydrochloride; vitamin B1 | insect repellent |
| chloroform | chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity. | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
| fluocinolone acetonide | fluocinolone acetonide : A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders. Fluocinolone Acetonide: A glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream, gel, lotion, or ointment. It has also been used topically in the treatment of inflammatory eye, ear, and nose disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732) | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
| triamcinolone diacetate | triamcinolone diacetate: lysyl oxidase antagonist; Polcortolon may also refers to triamcinolone | corticosteroid hormone | |
| gliotoxin | gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent. | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
| norethindrone | Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
| benziodarone | benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74) | aromatic ketone | |
| 17-alpha-hydroxyprogesterone | 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. | 17alpha-hydroxy steroid; 17alpha-hydroxy-C21-steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
| quinacrine monohydrochloride | |||
| chlorpromazine hydrochloride | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug | |
| ampicillin | ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic. | beta-lactam antibiotic; penicillin; penicillin allergen | antibacterial drug |
| mannitol | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent | |
| cytarabine hydrochloride | |||
| cytarabine | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent | |
| dithionitrobenzoic acid | dithionitrobenzoic acid : An organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups. Dithionitrobenzoic Acid: A standard reagent for the determination of reactive sulfhydryl groups by absorbance measurements. It is used primarily for the determination of sulfhydryl and disulfide groups in proteins. The color produced is due to the formation of a thio anion, 3-carboxyl-4-nitrothiophenolate. | nitrobenzoic acid; organic disulfide | indicator |
| trifluridine | trifluridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis. Trifluridine: An antiviral derivative of THYMIDINE used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to HERPES SIMPLEX virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557) | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
| dinitrofluorobenzene | 1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions. Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups. | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
| 4-hydroxypropiophenone | acetophenones | ||
| medroxyprogesterone acetate | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive | |
| sulfobromophthalein sodium | bromosulfophthalein : An organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1. bromosulfophthalein sodium : An organic sodium salt that is the disodium salt of bromosulfophthalein. | organic sodium salt | dye |
| mestranol | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen | |
| alizarin | dihydroxyanthraquinone | chromophore; dye; plant metabolite | |
| dichlorodiphenyldichloroethane | Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482) | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
| trypan blue | VisionBlue: A trypan blue ophthalmic solution. | ||
| methandrostenolone | Methandrostenolone: A synthetic steroid with anabolic properties that are more pronounced than its androgenic effects. It has little progestational activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1188) | organic molecular entity | |
| chlorquinaldol | chlorquinaldol : A monohydroxyquinoline that is quinolin-8-ol which is substituted by a methyl group at position 2 and by chlorine at positions 5 and 7. An antifungal and antibacterial, it was formerly used for topical treatment of skin conditions and vaginal infections. Chlorquinaldol: Local anti-infective agent used for skin, gastrointestinal, and vaginal infections with fungi, protozoa, and certain bacteria. In animals, it causes central nervous system damage and is not administered parenterally. It is also used as antiseptic, fungistat, or deodorant. | monohydroxyquinoline; organochlorine compound | antibacterial drug; antiprotozoal drug; antiseptic drug |
| tryptophan | tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals. | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; L-alpha-amino acid zwitterion; proteinogenic amino acid; tryptophan; tryptophan zwitterion | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| 4-chlorobenzoic acid | 4-chlorobenzoic acid : A monochlorobenzoic acid carrying a chloro substituent at position 4. 4-chlorobenzoic acid: RN given refers to parent cpd | monochlorobenzoic acid | bacterial xenobiotic metabolite |
| n,n'-diphenyl-4-phenylenediamine | N,N'-diphenyl-1,4-phenylenediamine : An N-substituted diamine that is 1,4-phenylenediamine in which one hydrogen from each amino group is replaced by a phenyl group. N,N'-diphenyl-4-phenylenediamine: in veterinary medicine, has been used to prevent vitamin E deficiency in lambs; structure | N-substituted diamine; secondary amino compound | antioxidant |
| systhane | 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile : A nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups. systhane: structure in first source | monochlorobenzenes; nitrile; triazoles | |
| tetramethylammonium chloride | organic molecular entity | ||
| trimethylchlorosilane | chlorotrimethylsilane : A silyl chloride consisting of a central silicon atom covalently bound to one chloro and three methyl groups. Chlorotrimethylsilane is a derivatisation agent used in gas chromatography/mass spectrometry applications. trimethylsilyl chloride: structure in first source | silyl chloride | chromatographic reagent |
| tert-butylhydroperoxide | tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules. | alkyl hydroperoxide | antibacterial agent; oxidising agent |
| dalapon | dalapon: RN given refers to parent cpd; structure | carboxylic acid; organohalogen compound | |
| trichloroacetic acid | trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts. | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
| triamcinolone acetonide | triamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections. Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions. | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
| mepenzolate bromide | diarylmethane | ||
| gibberellic acid | gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
| phencyclidine | phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust. | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
| chlorphenoxamine | chlorphenoxamine: minor descriptor (66-84); on-line & Index Medicus search ETHYLAMINES (66-84); RN given refers to parent cpd | diarylmethane | anticoronaviral agent |
| hexachlorocyclopentadiene | |||
| dicyclopentadiene | cyclic olefin | ||
| quinic acid | (-)-quinic acid : The (-)-enantiomer of quinic acid. | ||
| pentaerythritol tetranitrate | pentaerythritol tetranitrate : A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex. Pentaerythritol Tetranitrate: A vasodilator with general properties similar to NITROGLYCERIN but with a more prolonged duration of action. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1025) | pentaerythritol nitrate | explosive; vasodilator agent |
| tri-o-cresyl phosphate | tri-o-cresyl phosphate: see also related IMOL S-140 | ||
| triparanol | Triparanol: Antilipemic agent with high ophthalmic toxicity. According to Merck Index, 11th ed, the compound was withdrawn from the market in 1962 because of its association with the formation of irreversible cataracts. | stilbenoid | anticoronaviral agent |
| tris(2-ethylhexyl)phosphate | trialkyl phosphate | ||
| tris(2-butoxyethyl) phosphate | tris(2-butoxyethyl) phosphate : A trialkyl phosphate in which the alkyl group specified is 2-butoxyethyl. tris(2-butoxyethyl) phosphate: inhibitor of drug-protein binding; present in stoppers of blood sample 'vacutainers' | trialkyl phosphate | environmental contaminant; flame retardant |
| linalool | linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. linalool: RN given refers to parent cpd without isomeric designation; structure | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
| isoprene | isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
| 1,2-diaminopropane | 1,2-diaminopropane: RN given for parent cpd without isomeric designation propylenediamine : A diamine that is propane substituted by amino groups at positions 1 and 2. Propylenediamine is commonly used as a bidentate ligand in the formation of coordination complexes. | diamine | ligand |
| chloroacetone | alpha-chloroketone | ||
| acrylamide | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin | |
| dichloroacetic acid | monocarboxylic acid; organochlorine compound | astringent; marine metabolite | |
| tetrabromobisphenol a | 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. tetrabromobisphenol A: a brominated flame retardant | brominated flame retardant; bromobisphenol | |
| tetrachlorodian | tetrachlorodian: used in the manufacture of synthetic resins | bisphenol | |
| 3,3'-Dimethylbisphenol A | bisphenol | ||
| bisphenol a | 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
| chlorfenethol | chlorfenethol: structure | diarylmethane | |
| bis(4-hydroxyphenyl)sulfone | 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. bis(4-hydroxyphenyl)sulfone: structure and RN in first source | bisphenol; sulfone | endocrine disruptor; metabolite |
| ovex | ovex: structure | arenesulfonic acid | |
| dicumyl peroxide | |||
| p-tert-amylphenol | p-tert-amylphenol: RN given refers to parent cpd | alkylbenzene | |
| dehydrocholic acid | 3,7,12-trioxo-5beta-cholanic acid : An oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton. Dehydrocholic Acid: A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid. | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
| purpurin | purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. purpurin: from Rubiaceae plants; structure in first source | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
| 1,4-dihydroxyanthraquinone | 1,4-dihydroxyanthraquinone: structure given in first source quinizarin : A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups | dihydroxyanthraquinone | dye |
| 1-amino-2-methylanthraquinone | anthraquinone | ||
| disperse red 9 | |||
| 1-aminoanthraquinone | |||
| visnagin | visnagin : A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. visnagin: from Musineon divaricatum | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
| diphenadione | diphenadione: major descriptor (66-86); on-line search PHENINDIONE (66-74); PHENINDIONE/AA (75-86); INDEX MEDICUS search DIPHENADIONE (66-86); RN given refers to parent cpd | beta-triketone; diarylmethane | |
| acenaphthenequinone | acenaphthoquinone : An orthoquinone that is the 1,2-dioxo derivative of acenaphthene. | orthoquinones | chain carrier; epitope |
| cyclizine | cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group. Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935) | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
| quinophthalone | quinoline yellow : A quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2. quinophthalone: found in hair preparations; causes contact dermatitis | aromatic ketone; beta-diketone; quinolines | dye |
| pindone | pindone: RN given refers to parent cpd; structure | beta-triketone; indanones | |
| methylprednisolone | 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone. Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action. | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
| rotenone | Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
| 9,10-phenanthrenequinone | 9,10-phenanthrenequinone: structure | phenanthrenes | |
| phanquinone | phanquinone: structure phanquone : An orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline. | orthoquinones | |
| syrosingopine | syrosingopine: was heading 1963-94; SYRINGOPINE was see SYROSINGOPINE 1977-94; use RESERPINE to search SYROSINGOPINE 1966-94 | yohimban alkaloid | |
| 2,6-dihydroxyanthraquinone | 2,6-dihydroxyanthraquinone: structure given in first source anthraflavic acid : A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10. | dihydroxyanthraquinone | antimutagen; plant metabolite |
| dicyclohexyl phthalate | diester; phthalate ester | ||
| diphenyl phthalate | diphenyl phthalate : The diphenyl ester of benzene-1,2-dicarboxylic acid. | diester; phthalate ester | |
| diethyl phthalate | diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid. diethyl phthalate: structure | diester; ethyl ester; phthalate ester | neurotoxin; plasticiser; teratogenic agent |
| di-n-hexyl phthalate | 2-hydroxyisophthalic acid | ||
| 1-naphthylamine-5-sulfonic acid | 1-naphthylamine-5-sulfonic acid: fluorophore used for fluorescent nucleotide substrates | naphthalenesulfonic acid | |
| benzo(f)quinoline | |||
| phthalimide | phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. phthalimide: RN given refers to parent cpd | phthalimides | |
| santowhite powder | 4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source | ||
| 1-phenylazo-2-naphthylamine | |||
| brompheniramine | brompheniramine : Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis. Brompheniramine: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria. | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
| n-nitrosodiphenylamine | N-nitrosodiphenylamine: RN given refers to parent cpd; structure in first source | phenylhydrazines | |
| phensuximide | phensuximide: major descriptor (73-84); on-line search SUCCINIMIDES (73-84); Index Medicus search PHENSUXIMIDE (73-84); RN given refers to cpd without isomeric designation | pyrrolidines | |
| 1-hydroxy-2-naphthoic acid | 1-hydroxy-2-naphthoic acid : A naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms. 1-hydroxy-2-naphthoic acid: RN given refers to parent cpd | hydroxy monocarboxylic acid; naphthoic acid; naphthols | bacterial xenobiotic metabolite; fungal xenobiotic metabolite |
| dimoxyline | quinolines | ||
| 1-naphthaleneacetic acid | 1-naphthaleneacetic acid : A naphthylacetic acid substituted by a carboxymethyl group at position 1. 1-naphthaleneacetic acid: a plant growth regulator; RN given refers to parent cpd naphthylacetic acid : A monocarboxylic acid that is naphthalene substituted by a carboxymethyl group at any position. | naphthylacetic acid | synthetic auxin |
| 7-amino-4-hydroxy-2-naphthalenesulfonic acid | 7-amino-4-hydroxy-2-naphthalenesulfonic acid : An aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. 7-amino-4-hydroxy-2-naphthalenesulfonic acid: structure given in first source | aminonaphthalenesulfonic acid; naphthols | metabolite |
| salicylanilide | salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. salicylanilide: RN given refers to parent cpd | benzanilide fungicide; salicylamides; salicylanilides | |
| phthalide | 2-benzofuran-1(3H)-one : A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. isobenzofuranone : A 2-benzofuran containing one or more oxo groups. | 2-benzofurans; gamma-lactone | |
| 5-bromoisatin | indoles | anticoronaviral agent | |
| 2,4,6-trichlorophenol | trichlorophenol | carcinogenic agent | |
| n-vinyl-2-pyrrolidinone | N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source | pyrrolidin-2-ones | |
| thiophene-3-carboxylic acid | thiophene-3-carboxylic acid: structure in first source | ||
| 2-tert-butylphenol | alkylbenzene | ||
| 2-toluenesulfonamide | 2-toluenesulfonamide: saccharin impurity; starting material for preparation of saccharin; structure | ||
| 2,2'-methylenebis(ethyl-6-tert-butylphenol) | |||
| 3-trifluoromethyl-4-nitrophenol | 3-trifluoromethyl-4-nitrophenol: sea lamprey larvicide | ||
| anthranilamide | substituted aniline | ||
| dinoseb | 2-(butan-2-yl)-4,6-dinitrophenol : A dinitrophenol that is 2,4-dinitrophenol substituted by a butan-2-yl group at position 2. dinoseb : A racemate composed of equimolar amounts of (R)- and (S)-dinoseb. dinoseb: RN given refers to parent cpd; structure | dinitrophenol | |
| 5-methylsalicylic acid | |||
| 2-sec-butylphenol | 2-sec-butylphenol : A member of the class of phenols that is phenol carrying a butan-2-yl group at position 2. 2-sec-butylphenol: RN given refers to parent cpd | phenols | |
| thymol | thymol : A phenol that is a natural monoterpene derivative of cymene. Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent. | monoterpenoid; phenols | volatile oil component |
| salicylaldehyde | o-hydroxybenzaldehyde: structure in first source | hydroxybenzaldehyde | nematicide; plant metabolite |
| 2-anisidine | 2-anisidine: RN given refers to parent cpd; structure o-anisidine : A substituted aniline that is aniline in which the hydrogen ortho to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes. | monomethoxybenzene; primary amino compound; substituted aniline | genotoxin; reagent |
| 1-naphthol-8-amino-3,6-disulfonic acid | 1-naphthol-8-amino-3,6-disulfonic acid: dye and found in industrial waste | ||
| 1-naphthylphenylamine | N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure | naphthalenes | |
| 2-phenylphenol | 2-phenylphenol: RN given refers to parent cpd; structure biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits. | hydroxybiphenyls | antifungal agrochemical; environmental food contaminant |
| aminacrine | 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections. Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator. | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
| xanthone | xanthone : The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9. | xanthones | insecticide |
| 3,5-dibromosalicylaldehyde | 3,5-dibromosalicylaldehyde: structure in Merck Index, 9th ed, #2995 | ||
| michler's ketone | benzophenones | ||
| benzohydrol | diphenylmethanol : A secondary alcohol that is diphenylmethane which carries a hydroxy group at position 1. | benzyl alcohols; secondary alcohol | bacterial xenobiotic metabolite; human urinary metabolite; human xenobiotic metabolite; rat metabolite |
| 1,2,3,4-tetrahydroisoquinoline | 1,2,3,4-tetrahydroisoquinoline: RN given refers to cpd with locants as specified | isoquinolines | |
| quinoline | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | ||
| uvitex swn | Uvitex SWN: optical brightner from Ciba; structure | 7-aminocoumarins | fluorochrome |
| isatin | tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| 6-phenyl-1,3,5-triazine-2,4-diamine | 6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source | ||
| 3,3'-dichlorobenzidine | 3,3'-Dichlorobenzidine: A material used in the manufacture of azo dyes that is toxic to skin and carcinogenic in several species. | biphenyls; monochlorobenzenes; organochlorine compound | |
| 3,3'-diaminobenzidine | 3,3'-diaminobenzidine : A member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group. 3,3'-Diaminobenzidine: A chemically and thermodynamically stable derivative of BENZIDINE. | biphenyls; substituted aniline | histological dye |
| phenyltoloxamine | phenyltoloxamine: RN given refers to parent cpd; structure | diarylmethane | |
| tolonium chloride | tolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques. Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery. | ||
| pyronine | pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-. | iminium salt; organic chloride salt | histological dye |
| dehydrothio-4-toluidine | dehydrothio-4-toluidine: structure in first source | ||
| phenidone | phenidone: photographic developer; RN given refers to parent cpd; structure | ||
| 6-methylcoumarin | 6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. 6-methylcoumarin: synthetic fragrance causing contact photoallergy | coumarins | allergen; fragrance |
| diphenyl | diphenyl: RN given refers to unlabeled cpd; structure | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
| phenylpiperazine | phenylpiperazine: RN given refers to parent cpd | ||
| 4-phenylphenol | 4-phenylphenol: RN given refers to cpd without isomeric designation biphenyl-4-ol : A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4. | hydroxybiphenyls | |
| xanthenes | Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring. | xanthene | |
| phenothiazine | 10H-phenothiazine : The 10H-tautomer of phenothiazine. | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
| benzidine | benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group. benzidine: RN given refers to parent cpd | biphenyls; substituted aniline | carcinogenic agent |
| 4,4'-dihydroxybiphenyl | biphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'. | hydroxybiphenyls | |
| 2-methoxynaphthalene | naphthalenes | ||
| n,n-diethyl 4-phenylenediamine | N,N-diethyl 4-phenylenediamine: RN given refers to parent cpd | ||
| methyleugenol | methyleugenol: structure | phenylpropanoid | |
| mecoprop | 2-(4-chloro-2-methylphenoxy)propanoic acid : A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group. mecoprop : A racemate comprising equimolar amounts of (R)- and (S)-mecoprop. mecoprop: RN given refers to cpd without isomeric designation; structure | aromatic ether; monocarboxylic acid; monochlorobenzenes | |
| benzoic anhydride | acyclic carboxylic anhydride | ||
| benzylparaben | benzoate ester; benzyl ester | ||
| butylparaben | organic molecular entity | ||
| bis(1-piperidylthiocarbonyl)disulfide | bis(1-piperidylthiocarbonyl)disulfide: indicator for analysis of copper; structure | ||
| 2-methyl-4-chlorophenoxyacetic acid | (4-chloro-2-methylphenoxy)acetic acid : A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2. 2-Methyl-4-chlorophenoxyacetic Acid: A powerful herbicide used as a selective weed killer. | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
| monosulfiram | monosulfiram: monosulfide derivative of disulfide DISULFIRAM; structure | organosulfur compound | |
| benzotriazole | benzotriazole : The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. benzotriazole: inhibitor of atmospheric metal corrosion; also component of motion picture film & Neva brake fluid | benzotriazoles | environmental contaminant; xenobiotic |
| benzothiazole | benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. benzothiazole: structure | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
| thiohexam | thiohexam: rubber cure accelerator | ||
| 2-dichlorobenzene | 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2. 2-dichlorobenzene: structure | dichlorobenzene | hepatotoxic agent; metabolite |
| 1,2-diaminobenzene | 1,2-diaminobenzene: RN given refers to parent cpd 1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other. | phenylenediamine | hydrogen donor |
| 2-chlorophenol | chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2-halophenol; monochlorophenol | |
| 2-methyl-1,4-hydroquinone | 2-methyl-1,4-hydroquinone: structure given in first source toluquinol : A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group. | hydroquinones | angiogenesis inhibitor; anti-inflammatory agent; Penicillium metabolite |
| 3,4-dichloroaniline | 3,4-dichloroaniline : A dichloroaniline having the two chloro-substituents at the 3- and 4-positions. | dichloroaniline | epitope; xenobiotic |
| 4-chloro-1,2-diaminobenzene | 4-chloro-1,2-diaminobenzene: RN given refers to parent cpd | monochlorobenzenes | |
| 2-amino-4-methylphenol | 2-amino-4-methylphenol: structure in first source | ||
| 2-amino-4-chlorophenol | 2-amino-4-chlorophenol: causes contact dermititis | ||
| 2,4,5-trichlorophenol | 2,4,5-trichlorophenol : A trichlorophenol carrying chloro groups at positions 2, 4 and 5. 2,4,5-trichlorophenol: RN given refers to parent cpd; structure | trichlorophenol | |
| 1,3-dichloro-2-propanol | 1,3-dichloro-2-propanol: RN given refers to cpd with specified locants 1,3-dichloropropan-2-ol : A secondary alcohol that is isopropanol in which one hydrogen of each methyl group is substituted by a chlorine. A liquid at room temperature (melting point -4degreeC, boiling point 174degreeC at 760 mm Hg), it is used as a solvent for hard resins and nitrocellulose. | organochlorine compound; secondary alcohol | cross-linking reagent; protic solvent |
| alpha-chlorohydrin | 3-chloropropane-1,2-diol : A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3. alpha-Chlorohydrin: A chlorinated PROPANEDIOL with antifertility activity in males used as a chemosterilant in rodents. | chloropropane-1,2-diol | |
| methylcyclopentane | methylcyclopentane : A cycloalkane that is cyclopentane substituted by a single methyl group. methylcyclopentane: toxic; RN 96-37-7 | cycloalkane; volatile organic compound | human metabolite; plant metabolite |
| 4,4'-thiobis(6-tert-butyl-3-cresol) | 4,4'-thiobis(6-tert-butyl-3-cresol): structure given in first source | ||
| 2,4-di-tert-butylphenol | 2,4-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4. 2,4-di-tert-butylphenol: structure given in first source | alkylbenzene; phenols | antioxidant; bacterial metabolite; marine metabolite |
| fentichlor | fentichlor: structure fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine. | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
| 1,3-ditolylguanidine | 1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the brain | toluenes | |
| o-aminoazotoluene | o-Aminoazotoluene: An azo dye with carcinogenic properties. | ||
| tetramethylthiuram monosulfide | |||
| furfuryl alcohol | furfuryl alcohol : A furan bearing a hydroxymethyl substituent at the 2-position. furfuryl alcohol: structure | furans; primary alcohol | Maillard reaction product |
| 3-aminobenzotrifluoride | |||
| p-tert-butyl catechol | |||
| 4-tert-butyltoluene | |||
| butylphen | 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. butylphen: irritant; structure | phenols | allergen |
| 4-tert-butylbenzoic acid | 4-tert-butylbenzoic acid: RN given refers to parent cpd | alkylbenzene | |
| 3-aminobenzoic acid | 3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3. 3-aminobenzoic acid: RN given refers to parent cpd | aminobenzoic acid | |
| 3-dimethylaminophenol | |||
| 3-nitrotoluene | mononitrotoluene | ||
| dicloran | 2,6-dichloro-4-nitroaniline : A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines. An agricultural fungicide, it is not approved for use in the European Union. | aromatic fungicide; dichlorobenzene; nitroaniline | antifungal agrochemical |
| adrenalone | adrenalone: RN given refers to parent cpd | aromatic ketone | |
| carveol | carveol : A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5. carveol: structure given in first source; prolongs tumor latency and decreases tumor yield | limonene monoterpenoid | plant metabolite; volatile oil component |
| 3-nitrobenzaldehyde | |||
| isophthaloyl dichloride | |||
| 3-dinitrobenzene | 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class. | dinitrobenzene | neurotoxin |
| methylparaben | methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
| 4-hydroxyacetophenone | 4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum 4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'. | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
| dimethyl-4-phenylenediamine | dimethyl-4-phenylenediamine: RN given refers to parent cpd; structure | diamine; substituted aniline | |
| 4-chloronitrobenzene | C-nitro compound | ||
| 4-nitroaniline | nitroaniline | bacterial xenobiotic metabolite | |
| 4-(dimethylamino)benzaldehyde | 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. p-dimethylaminobenzaldehyde: structure in first source | benzaldehydes; substituted aniline; tertiary amino compound | chromogenic compound |
| 4-nitrobenzyl chloride | 4-nitrobenzyl chloride: structure given in first source p-nitrobenzyl chloride : A C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group. | benzyl chlorides; C-nitro compound | mutagen |
| n-methyl-4-nitroaniline | N-methyl-4-nitroaniline: structure in first source | ||
| terephthalic acid | terephthalic acid : A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. terephthalic acid: RN given refers to 1,4-benzenedicarboxylic acid | benzenedicarboxylic acid | |
| 2,5-pyridinedicarboxylic acid | 2,5-Pyridinedicarboxylic acid: RN given refers to parent cpd isocinchomeronic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 5. | pyridinedicarboxylic acid | |
| 4-nitrophenetol | |||
| 2-diethylaminoethanol | 2-diethylaminoethanol : A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups. 2-diethylaminoethanol: RN given refers to unlabeled parent cpd | ethanolamines; primary alcohol; tertiary amino compound | |
| benzyl bromide | benzyl bromide : A member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine. benzyl bromide: structure given in first source | benzyl bromides | lachrymator |
| ethylbenzene | alkylbenzene | ||
| benzylamine | aminotoluene : Any member of the class of toluenes carrying one or more amino groups. | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
| phenylmercuric chloride | |||
| phenylhydroxylamine | N-phenylhydroxylamine : An N-substituted amine that is a derivative of aniline in which one of the amino hydrogen atoms is replaced with a hydroxy substituent. phenylhydroxylamine: RN given refers to parent cpd | N-substituted amine | |
| cyclamic acid | Cyclamates: Salts and esters of cyclamic acid. cyclohexylsulfamic acid : A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent. | sulfamic acids | environmental contaminant; human xenobiotic metabolite |
| methylenebis(chloroaniline) | 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms. | chloroaniline | metabolite |
| 3-hydroxydiphenylamine | substituted aniline | ||
| triclocarban | triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
| barban | barban : A carbamate ester that is 4-chlorobut-2-yn-1-yl ester of N-(3-chlorophenyl)carbamic acid. A herbicide, it is no longer approved for use within the European Community. barban: selective herbicide for wild oats; structure | acetylenic compound; carbamate ester; monochlorobenzenes | herbicide |
| 4-benzylphenol | 4-benzylphenol: metabolite of diphenylmethane; RN given refers to parent cpd | ||
| 4-aminodiphenylamine | 4-aminodiphenylamine: RN given refers to parent cpd p-aminodiphenylamine : An aromatic amine that is the 4-amino derivative of diphenylamine. | aromatic amine; secondary amino compound | allergen |
| 4-bromophenyl phenyl ether | 4-bromodiphenyl ether: induces apoptosis 4-bromophenyl phenyl ether : An aromatic ether that is diphenyl ether substituted at position 4 by a bromo group. | aromatic ether; organobromine compound | |
| 4,4'-diphenylmethane diisocyanate | 4,4'-diphenylmethane diisocyanate: used as a hardening agent incorporated in polyurethanes diphenylmethane-4,4'-diisocyanate : A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. | diisocyanate | allergen; hapten |
| n-isopropyl-n-phenyl-4-phenylenediamine | N-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group. | N-substituted diamine | allergen; antioxidant |
| 4,4'-diaminodiphenylmethane | 4,4'-diaminodiphenylmethane : An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group. 4,4'-diaminodiphenylmethane: RN given refers to parent cpd; structure | aromatic amine | allergen; carcinogenic agent |
| diglycidyl resorcinol ether | diglycidyl resorcinol ether: structure | aromatic ether | |
| diphenylguanidine | 1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry. diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd | guanidines | allergen |
| 1,3-diphenylurea | 1,3-diphenylurea : A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera). | phenylureas | cytokinin; plant metabolite |
| triethanolamine | triethanolamine : A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group. triethanolamine: RN given refers to parent cpd | amino alcohol; tertiary amino compound; triol | buffer; surfactant |
| monobenzone | monobenzone : The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation. monobenzone: structure | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
| 4,4'-dithiodimorpholine | 4,4'-dithiodimorpholine: rubber vulcanizing agent causing occupational dermatitis; structure | ||
| phenylisothiocyanate | phenyl isothiocyanate : An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation. phenylisothiocyanate: structure | isothiocyanate | allergen; reagent |
| 2-ethylhexanol | primary alcohol | plant metabolite; volatile oil component | |
| 4-nitrosophenol | 4-nitrosophenol: RN given refers to unlabeled parent cpd | ||
| ethyl bromoacetate | |||
| 2,4-dimethylphenol | 2,4-dimethylphenol: RN given refers to parent cpd 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4. | aromatic fungicide; phenols | disinfectant; volatile oil component |
| citronellyl formate | citronellyl formate: a volatile oil from Pelargonium graveoleus | carboxylic ester | |
| 12-hydroxy stearic acid | 12-hydroxy stearic acid: structure in first source 12-hydroxyoctadecanoic acid : A hydroxy fatty acid that is stearic acid bearing a hydroxy substituent at position 12. | hydroxyoctadecanoic acid; secondary alcohol | bacterial xenobiotic metabolite; plant metabolite |
| 4-bromoaniline | 4-bromoaniline: RN given refers to parent cpd; structure given in Merck Index, 9th ed, #1403 | ||
| 4-chloroaniline | 4-chloroaniline : A chloroaniline in which the chloro atom is para to the aniline amino group. 4-chloroaniline: RN given refers to parent cpd; structure | chloroaniline; monochlorobenzenes | |
| 4-phenylenediamine | 1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. 4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd | phenylenediamine | allergen; dye; hapten; reagent |
| 4-vinyl-1-cyclohexene dioxide | 4-vinyl-1-cyclohexene dioxide: activates caspase cascades; structure 4-vinylcyclohexene dioxide : The diepoxide of 4-vinylcyclohexene. | epoxide | carcinogenic agent |
| acrolein | enal | herbicide; human xenobiotic metabolite; toxin | |
| acrylonitrile | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent | |
| diisobutylene | 2,4,4-trimethylpentene: a hazardous substance | ||
| tetraethyl pyrophosphate | tetraethyl pyrophosphate: topical agent for glaucoma; structure | organic diphosphate | |
| acetic anhydride | acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid. acetic anhydride: RN given refers to unlabeled cpd; structure | acyclic carboxylic anhydride | metabolite; reagent |
| propylene carbonate | 4-methyl-1,3-dioxolan-2-one: structure in first source | ||
| thiophenol | thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group. | aryl thiol | |
| 2-aminopyrimidine | aminopyrimidine : A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives. pyrimidin-2-amine : An aminopyrimidine carrying an amino group at position 2. | aminopyrimidine | |
| dibutyl sebacate | dibutyl sebacate: used in retail packaging of foods | fatty acid ester | |
| isopropylethanediol | isopropylethanediol: structure | ||
| dicyanmethane | malononitrile : A dinitrile that is methane substituted by two cyano groups. | aliphatic nitrile; dinitrile | |
| diethylamine | secondary aliphatic amine | ||
| di-tert-butyl peroxide | tert-butyl peroxide: structure in first source | ||
| 2-butyne-1,4-diol | but-2-yne-1,4-diol : A butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4. | butynediol | |
| 3,4-dihydropyran | |||
| squalane | |||
| methyl heptine carbonate | methyl heptine carbonate: structure | fatty acid ester | |
| diethanolamine | diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. diethanolamine: RN given refers to parent cpd | ethanolamines | human xenobiotic metabolite |
| heptanal | heptanal : An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | biomarker |
| diethylene glycol monomethyl ether | 2-(2-methoxyethoxy)ethanol : A hydroxypolyether that is the monomethyl ether derivative of diethylene glycol. | diether; glycol ether; hydroxypolyether | solvent; teratogenic agent |
| lauric acid methyl ester | methyl laurate : A fatty acid methyl ester of lauric acid. | dodecanoate ester; fatty acid methyl ester | metabolite |
| pelargonic acid | nonanoic acid : A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. pelargonic acid: K salt acts as cariostatic agent; RN given refers to parent cpd; structure | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite |
| n,n-dimethyl-1-dodecanamine | N,N-dimethyl-1-dodecanamine: increases body weight & feed efficiency in animals; RN given refers to parent cpd | ||
| n-decyl alcohol | decan-1-ol : A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms. decanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of ten carbon atoms. n-decyl alcohol: RN given refers to parent cpd | decanol; primary alcohol | metabolite; pheromone; protic solvent |
| butyl carbitol | butyl carbitol: structure | ether | |
| undecan-1-ol | undecan-1-ol : A primary alcohol that is undecane substituted by a hydroxy group at position 1. undecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eleven carbon atoms. | primary alcohol; undecanol | flavouring agent; plant metabolite |
| tetraethylenepentamine | polyazaalkane | copper chelator | |
| ergotamine | ergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10. Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS. | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
| estradiol dipropionate | estradiol dipropionate: RN given refers to (17beta)-isomer; RN for cpd without isomeric designation not in Chemline 7/83 | steroid ester | |
| methylergonovine | Methylergonovine: A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed) | ergoline alkaloid | |
| imipramine hydrochloride | hydrochloride | antidepressant | |
| phenformin | phenformin : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of lactic acidosis. Phenformin: A biguanide hypoglycemic agent with actions and uses similar to those of METFORMIN. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often fatal, it is still available in some countries. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290) | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
| dicofol | dicofol : A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group. Dicofol: An organochlorine insecticide. | monochlorobenzenes; organochlorine acaricide; tertiary alcohol | |
| oxyphenisatin acetate | Oxyphenisatin Acetate: A laxative that undergoes enterohepatic circulation. It may cause jaundice. | benzoate ester; phenols | |
| tris(chloroethyl)phosphate | tris(2-chloroethyl) phosphate : A trialkyl phosphate that is the tris(2-chloroethyl) ester of phosphoric acid. tris(chloroethyl)phosphate: has gonadotoxic effects | organochlorine compound; trialkyl phosphate | |
| tetradifon | tetradifon : A sulfone that is diphenylsulfone in which one of the phenyl groups is substituted by chlorine at position 4, while the other is substituted by a chlorine at positions 2, 4, and 5. tetradifon: acaricide; ovicide on deciduous fruits, citrus, cotton and other crops; structure | monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene | |
| 2-methylbutanoic acid | 2-methylbutanoic acid: RN given refers to parent cpd without isomeric designation 2-methylbutyric acid : A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. | methylbutyric acid | bacterial metabolite; human metabolite |
| anthrarufin | 1,5-dihydroxyanthraquinone: used in ferric ion sensing as an inclusion complex with beta-cyclodextrin; structure in first source anthrarufin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. | dihydroxyanthraquinone | |
| tecnazene | tecnazene : A C-nitro compound that is nitrobenzene in which the four hydrogens located ortho- and para- to the nitro group have been replaced by chlorines. A fungicide used to control dry rot, it is no longer approved for use within the European Union. tetrachloronitrobenzene: sprout suppressant for potatoes; can be either the 1,2,4,5- and/or the 1,2,3,5-tetrachloro isomer; RN given refers to cpd with unspecified isomeric designation | aromatic fungicide; C-nitro compound; tetrachlorobenzene | antifungal agrochemical |
| 2-aminoanthraquinone | anthraquinone | ||
| dichlone | dichlone: structure | ||
| diethylhexyl phthalate | bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers. | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
| 1,3-dichloro-5,5-dimethylhydantoin | sulfochloranthine: combination of dichlorodimethylhydantoin, dimethylhydantoin, sodium polyphosphate, sulfanol | ||
| homosalate | homosalate: cpd not photoallergenic | benzoate ester; phenols | |
| ethyl salicylate | ethyl salicylate: causes erythema after topical application as an aerosol; found in blood | hydroxybenzoic acid | |
| etryptamine | etryptamine: RN given refers to cpd without isomeric designation | indoles | |
| chloranil | Chloranil: A quinone fungicide used for treatment of seeds and foliage. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
| 2-toluic acid | 2-toluic acid: RN given refers to parent cpd; structure o-toluic acid : A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2. | methylbenzoic acid | xenobiotic metabolite |
| 1-hydroxyphthalazine | 1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5 | phthalazines | |
| 2,2'-methylenebis(4-methyl-6-tert-butylphenol) | diarylmethane | ||
| benzoin | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor | |
| dianisidine | Dianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes. | biphenyls | |
| clorophene | |||
| lauric acid diethanolamide | lauric acid diethanolamide: component of shampoo implicated in contact dermatitis | fatty amide | |
| dibenzoylmethane | dibenzoylmethane : A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
| ethyl-p-hydroxybenzoate | ethyl-p-hydroxybenzoate: structure | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
| dimethyl 4-phthalate | dimethyl 4-phthalate: solvent; structure dimethyl terephthalate : A diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics. | diester; methyl ester; phthalate ester | |
| sulfoxide | sulfoxide : An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). sulfoxide: synergistic insecticide for use with pyrethrum, allethrin, rotenone, ryania, etc.; RN given refers to parent cpd; structure | benzodioxoles | |
| dibenzothiazyl disulfide | dibenzothiazol-2-yl disulfide : An organic disulfide resulting from the formal oxidative coupling of the thiol groups of two molecules of 1,3-benzothiazole-2-thiol. It is used as an accelerator in the rubber industry. dibenzothiazyl disulfide: vulcanizing accelerant | benzothiazoles; organic disulfide | allergen |
| 2,4-dichlorophenol | 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4. 2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure | dichlorophenol | |
| 3-tert-butyl-4-hydroxyanisole | 3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group. | aromatic ether; phenols | antioxidant; human xenobiotic metabolite |
| 4-chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene | 4-chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene: RN given refers to cpd with specified locants; structure in first source | ||
| ethyl vanillin | ethyl vanillin : A member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group. | aromatic ether; benzaldehydes; phenols | antioxidant; flavouring agent |
| benzethonium chloride | benzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. | aromatic ether; chloride salt; quaternary ammonium salt | antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant |
| 4-sulfanilic acid | 4-aminobenzenesulfonic acid : An aminobenzenesulfonic acid that is aniline sulfonated at the para-position. 4-sulfanilic acid: minor descriptor (75-82); online search SULFANILIC ACIDS; Index Medicus search BENZENESULFONATES | aminobenzenesulfonic acid | allergen; environmental contaminant; xenobiotic; xenobiotic metabolite |
| isophthalate | isophthalic acid : A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids. | benzenedicarboxylic acid | |
| 3-nitrobenzoic acid | 3-nitrobenzoic acid: RN given refers to parent cpd | ||
| sulfan blue | sulfan blue: widely used to visualize lymph vessels for lymphography; structure | organic molecular entity | |
| suramin sodium | suramin sodium : An organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness. | organic sodium salt | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
| pyrazolanthrone | anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase. pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
| piperidolate hydrochloride | diarylmethane | ||
| 1,4-naphthoquinone | 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene. | 1,4-naphthoquinones | |
| deserpidine | deserpidine: minor descriptor (66-84); on-line search RESERPINE/AA (75-84), RESERPINE (66-74); Index Medicus search RESERPINE/AA (75-84), YOHIMBANS (69-74), RESERPINE (66-68); RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer | alkaloid ester; benzoate ester; methyl ester; organic heteropentacyclic compound; yohimban alkaloid | |
| dimethyl phthalate | dimethyl phthalate: used as plasticizer in computer mouse; structure | diester; methyl ester; phthalate ester | |
| di-n-propylphthalate | di-n-propylphthalate: RN & Structure given in first source dipropyl phthalate : A phthalate ester that is the dipropyl ester of benzene-1,2-dicarboxylic acid. | diester; phthalate ester | |
| di-n-pentyl phthalate | dipentyl phthalate : A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid. | diester; phthalate ester | plasticiser |
| dioxybenzone | dioxybenzone: structure | benzophenones | |
| 2,2',4,4'-tetrahydroxybenzophenone | |||
| 2,4-dihydroxybenzophenone | 2,4-dihydroxybenzophenone: structure in first source | benzophenones | |
| 3-amino-9-ethylcarbazole | 3-amino-9-ethylcarbazole: RN given refers to parent cpd | carbazoles | |
| cinchophen | cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94 | quinolines | |
| chlorthenoxazin | chlorthenoxazin: RN given refers to parent cpd; structure | benzoxazine | |
| captan | captan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. Captan: One of the phthalimide fungicides. | isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
| folpet | folpet : A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s. | organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
| phenyl 4-aminosalicylate | carbonyl compound | ||
| 2-Phenylethyl 2-aminobenzoate | benzoate ester | ||
| 3,5-diiodosalicylic acid | 3,5-diiodosalicylic acid: RN given refers to parent cpd; structure | ||
| menthyl anthranilate | menthyl anthranilate: structure in first source | monoterpenoid | |
| 1-naphthylamine | 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1. 1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position. | naphthylamine | human xenobiotic metabolite |
| benzil | benzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively. benzil: structure | alpha-diketone; aromatic ketone | |
| 2-naphthol | 2-naphthol : A naphthol carrying a hydroxy group at position 2. 2-naphthol: RN given refers to parent cpd naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
| methapyrilene hydrochloride | methapyrilene hydrochloride : A hydrochloride that is the monohydrochloride salt of methapyrilene. | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
| neozone | N-phenyl-2-naphthalenamine: structure in first source | naphthalenes | |
| 1,3-diphenyl-1-triazene | 1,3-diphenyl-1-triazene: structure in first source | ||
| phenazopyridine hydrochloride | phenazopyridine hydrochloride : A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
| 2-aminobenzothiazole | benzothiazoles | ||
| diamthazole | diamthazole: RN given refers to parent cpd; structure | benzothiazoles | |
| ziram | ziram : A dithiocarbamate salt that is the zinc salt of dimethyldithiocarbamic acid. It is a broad-spectrum fungicide and bird and animal repellent that is also used to accelerate the vulcanisation of rubber. Ziram: An industrial fungicide with low mammalian toxicity, although it does possess an irritant capacity for skin and mucous membranes. | dithiocarbamate salt; zinc molecular entity | antifungal agrochemical; apoptosis inducer |
| dextrothyroxine | D-thyroxine : The D-enantiomer of thyroxine. Dextrothyroxine: The dextrorotary isomer of the synthetic THYROXINE. | D-tyrosine derivative; thyroxine | |
| 4-nitrosodimethylaniline | 4-nitrosodimethylaniline: structure; RN given refers to parent cpd N,N-dimethyl-4-nitrosoaniline : A member of the class of dimethylanilines that is N,N-dimethylaniline having a nitroso group at the 4-position. | dimethylaniline; nitroso compound; tertiary amino compound | |
| zephiramine | |||
| 4-aminodiphenyl ether | |||
| triethanolamine lauryl sulfate | texapon TH: sodium dodecyl sulfate compd. with triethanolamine [1:1] | ||
| monuron | monuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups. monuron: minor descriptor (72-83); on-line & Index Medicus search UREA/AA (72-74) & HERBICIDES (72-74) & HERBICIDES UREA (75-83); RN given refers to unlabeled cpd; structure | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes | environmental contaminant; herbicide; xenobiotic |
| 4'-(chloroacetyl)acetanilide | 4'-(chloroacetyl)acetanilide : An alpha-chloroketone that is acetanilide in the para- position is substituted by a chloroacetyl group. | acetamides; alpha-chloroketone; aromatic ketone | |
| pentamidine isethionate | pentamidine isethionate : An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid. | organosulfonate salt | trypanocidal drug |
| 4-tert-octylphenol | 4-tert-octylphenol: structure given in first source | alkylbenzene | |
| estragole | estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
| sterogenol | cetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. hexadecylpyridinium bromide: structure in first source | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
| citronellol | citronellol : A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7. citronellol: alcohol form of citronellal; found in rose oil; RN given refers to parent cpd without isomeric designation; structure insect repellent : An insecticide that acts as a repellent to insects. | monoterpenoid | plant metabolite |
| ethyl acetate | ethyl acetate : The acetate ester formed between acetic acid and ethanol. | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
| hexyl methacrylate | hexyl methacrylate: used to make monolithic columns | ||
| hexanoic acid | hexanoic acid : A C6, straight-chain saturated fatty acid. | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
| isopropyl palmitate | isopropyl palmitate : A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism. | fatty acid ester; isopropyl ester | human metabolite |
| decylamine | decylamine: structure | alkylamine | |
| pregnenolone | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite | |
| 20-alpha-dihydroprogesterone | 20-alpha-Dihydroprogesterone: A biologically active 20-alpha-reduced metabolite of PROGESTERONE. It is converted from progesterone to 20-alpha-hydroxypregn-4-en-3-one by the 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE in the CORPUS LUTEUM and the PLACENTA. | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
| azapetine | azapetine: RN given refers to parent cpd; structure | benzazepine | |
| yohimbine | yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina. Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION. | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
| 2-chloroadenosine | 5-chloroformycin A: structure given in first source | purine nucleoside | |
| diphenhydramine hydrochloride | Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine. | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
| 1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt | 1,2-Dihydroxybenzene-3,5-Disulfonic Acid Disodium Salt: A colorimetric reagent for iron, manganese, titanium, molybdenum, and complexes of zirconium. (From Merck Index, 11th ed) | organic molecular entity | |
| citronellyl acetate | citronellol acetate : A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. citronellyl acetate: RN given refers to cpd without isomeric designation | acetate ester; monoterpenoid | plant metabolite |
| cycloguanil hydrochloride | cycloguanil hydrochloride : The hydrochloride salt of cycloguanil. | hydrochloride; organic molecular entity | |
| dydrogesterone | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin | |
| D-tryptophan | D-alpha-amino acid; tryptophan; tryptophan zwitterion | bacterial metabolite | |
| catechin | (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives. Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin | catechin | antioxidant; plant metabolite |
| 1,12-benzoperylene | 1,12-benzoperylene: structure; see also record for benzoperylene | ortho- and peri-fused polycyclic arene | |
| benzo(e)pyrene | benzo(e)pyrene: RN given refers to parent cpd benzo[e]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC. | ortho- and peri-fused polycyclic arene | carcinogenic agent; mutagen |
| benzo(b)fluoranthene | benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring. | ortho- and peri-fused polycyclic arene | mutagen |
| benzo(k)fluoranthene | naphthalenes | ||
| acenaphthylene | acenaphthylene : A ortho- and peri-fused tricyclic hydrocarbon that occurs in coal tar. acenaphthylene: RN given refers to parent cpd | acenaphthylenes; ortho- and peri-fused polycyclic arene; ortho- and peri-fused tricyclic hydrocarbon | |
| benzotriphenylene | carbopolycyclic compound | ||
| chrysene | chrysene : An ortho-fused polycyclic arene found commonly in the coal tar. chrysene: structure in Merck Index, 9th ed, #2252 | ortho-fused polycyclic arene | plant metabolite |
| quinazolines | quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring. | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
| dibenz(b,f)(1,4)oxazepine | |||
| indazoles | Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES. | indazole | |
| 7-azaindole | pyrrolopyridine | ||
| benzofuran | 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans. benzofuran: RN & structure given in first source | 1-benzofurans; benzofuran | |
| 1,3-benzodioxole | 1,3-benzodioxole : A benzodioxole consisting of a benzene ring substituted by a the methylenedioxy group. | benzodioxole | |
| cyclohexene oxide | cyclohexene oxide: inhibitor of epoxide hydrase; structure | ||
| ethynodiol diacetate | Ethynodiol Diacetate: A synthetic progestational hormone used alone or in combination with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL). | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
| di-2-(ethylhexyl)phosphoric acid | di-2-(ethylhexyl)phosphoric acid: RN given refers to parent cpd | ||
| indopan | alpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position. indopan: RN given refers to parent cpd without isomeric designation | tryptamines | |
| crufomate | crufomate: was MH 1976-92 (see under INSECTICIDES, ORGANOPHOSPHATE 1976-90); use ORGANOPHOSPHORUS COMPOUNDS to search CRUFOMATE 1976-92; an insecticide used extensively for the control of cattle grubs, cattle lice, and hornflies | alkylbenzene | |
| diiodotyrosine | 3,5-diiodo-L-tyrosine : A diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis. diiodotyrosine : A dihalogenated L-tyrosine which has two iodo-substituents on the benzyl moiety. Diiodotyrosine: A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE). | diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite |
| chlormadinone acetate | Chlormadinone Acetate: An orally active synthetic progestational hormone used often in combinations as an oral contraceptive (CONTRACEPTIVES, ORAL). | corticosteroid hormone | |
| 2h-benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy- | 2H-Benzo(a)quinolizin-2-ol, 2-Ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-: Proposed catecholamine depletor. | ||
| 3-phenylsalicylic acid | 3-phenylsalicylic acid: structure given in first source | ||
| hydralazine hydrochloride | hydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent. | hydrochloride | antihypertensive agent; vasodilator agent |
| 2,3-dimercaptosuccinic acid | |||
| ethamivan | etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86) | methoxybenzenes; phenols | |
| disophenol | disophenol: structure | 4-nitrophenols | |
| perfluorodecalin | perfluorodecalin : A fluorocarbon that is decalin in which every hydrogen is replaced by fluorine. Capable of dissolving large quantities of oxygen, it has been used as the basis of an artificial blood substitute. perfluorodecalin: RN given refers to parent cpd without isomeric designation | fluorocarbon | blood substitute; solvent |
| paraoxon | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite | |
| estradiol 17 beta-cypionate | steroid ester | ||
| evans blue | Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly. | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
| monocrotaline | Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment. | pyrrolizidine alkaloid | |
| opipramol | Opipramol: A tricyclic antidepressant with actions similar to AMITRIPTYLINE. | dibenzoazepine | |
| dibenzepin | dibenzepin: was heading 1975-94 (see under DIBENZAZEPINES 1975-90); use DIBENZAZEPINES to search DIBENZEPIN 1975-94; tricyclic antidepressant similar in action to imipramine | dibenzodiazepine | |
| azacitidine | 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia. Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent. | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
| 5-chlorosalicylic acid | 5-chlorosalicylic acid : A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. 5-chlorosalicylic acid: major metabolite of meseclazone; RN given refers to parent cpd | chlorobenzoic acid; monochlorobenzenes; monohydroxybenzoic acid | |
| haloxon | haloxon: structure | ||
| n-phenethylpiperidine | |||
| perfluorodecanoic acid | perfluorodecanoic acid : A fluoroalkanoic acid that is perfluorinated decanoic acid. | fluoroalkanoic acid | environmental contaminant; xenobiotic |
| tetrapropylammonium | tetrapropylammonium : A quarternary ammonium cation with four propyl substituents around the central nitrogen. tetrapropylammonium: more than 12 salts of above cpd in Chemline | quaternary ammonium ion | |
| orphenadrine hydrochloride | orphenadrine hydrochloride : A hydrochloride comprising equimolar amounts of ophenadrine and hydrogen chloride. | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
| fluocinonide | Fluocinonide: A topical glucocorticoid used in the treatment of ECZEMA. | organic molecular entity | |
| galantamine | Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils. | benzazepine alkaloid; benzazepine alkaloid fundamental parent; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
| aminoimidazole carboxamide | 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
| methysergide | methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches. Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome. | ergoline alkaloid | |
| phenylbenzoquinone | phenylbenzoquinone: RN given refers to parent cpd | ||
| thymidine monophosphate | dTMP : The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). Thymidine Monophosphate: 5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety. | thymidine 5'-monophosphate | fundamental metabolite |
| cloflucarban | cloflucarban: structure halocarban : A phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties. | monochlorobenzenes; phenylureas | antibacterial agent |
| betamethasone | Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724) | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
| triphenyltin fluoride | triphenyltin fluoride: induces hypertriglyceridemia in rabbits | ||
| prenylamine | Prenylamine: A drug formerly used in the treatment of angina pectoris but superseded by less hazardous drugs. Prenylamine depletes myocardial catecholamine stores and has some calcium channel blocking activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1406) | diarylmethane | |
| 3,5-dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene | 3,5-dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene: affects mitochondria isolated from rat liver; RN given refers to unlabeled cpd | ||
| benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide: Proposed cholinesterase inhibitor. | ||
| 5-methylpyrazole-3-carboxylic acid | 5-methyl-pyrazole-3-carboxylic acid : A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. 5-methylpyrazole-3-carboxylic acid: structure | monocarboxylic acid; pyrazoles | metabolite |
| fluorometholone | fluorometholone : A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe. Fluorometholone: A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732) | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| cyproterone acetate | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin | |
| lithocholic acid | lithocholate : A bile acid anion that is the conjugate base of lithocholic acid. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
| nandrolone | nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
| phenyl trifluoromethyl ketone | phenyl trifluoromethyl ketone: converted to trifluoroacetic acid in water | ||
| deoxybenzoin | deoxybenzoin: structure in first source | ||
| 2-aminopurine | 2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position. 2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine). aminopurine : Any purine having at least one amino substituent. | 2-aminopurines; nucleobase analogue | antimetabolite |
| 4-methylcatechol | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite | |
| 3-aminopyridine | |||
| normethadone | normethadone: RN given refers to parent cpd | diarylmethane | |
| jervine | jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure | piperidines | |
| glycyrrhetinic acid | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite | |
| chenodeoxycholic acid | chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones. | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| naphthazarin | naphthazarin : A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. naphthazarin: fish toxin; isolated for first time from the walnut onigurmi, Juglans mandshurica maxim var. Sieboldiana Makino; structure | hydroxy-1,4-naphthoquinone | acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite |
| nuciferine | nuciferine: CNS depressant; glutamic acid antagonist; RN given refers to (R)-isomer; structure | ||
| boldine | aporphine alkaloid | ||
| rhein | dihydroxyanthraquinone | ||
| indirubin | |||
| plumbagin | plumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. plumbagin: a superoxide anion generator | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
| cepharanthine | cepharanthine : A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. cepharanthine: isoquinoline alkaloid from tubers of STEPHANIA; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation | bisbenzylisoquinoline alkaloid; isoquinolines | |
| aloe emodin | Aloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. aloe emodin: structure distinct from emodin; this does not mean emodin from aloe | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
| chrysophanic acid | chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260 chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
| menadiol | methylnaphthalenes; naphthalenediols; naphthohydroquinone | ||
| imperatorin | imperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. imperatorin: tumor necrosis factor antagonist; furanocoumarin from West African medicinal plant Clausena anisata; structure in Negwer, 5th ed, #3005 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
| emetine | emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS. | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
| kokusaginine | kokusaginine: antimalarial alkaloid from Teclea afzelii; structure in first source | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| osthol | osthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first source | botanical anti-fungal agent; coumarins | metabolite |
| 9-phenanthrol | 9-phenanthrol : A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group. 9-phenanthrol: an inhibitor of AMP-dependent protein kinase catalytic subunit; structure in first source | phenanthrol | TRPM4 channel inhibitor |
| dihydralazine | Dihydralazine: 1,4-Dihydrazinophthalazine. An antihypertensive agent with actions and uses similar to those of HYDRALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p354) | phthalazines | |
| ninhydrin | ninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties. | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
| bicuculline | bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors. | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
| 9-fluorenone | fluoren-9-one : The simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. | fluoren-9-ones | fungal xenobiotic metabolite |
| vasicinone | vasicinone: isolated from Adhatoda vasica; structure given in first source | ||
| flavanone | flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source | flavanones | |
| salacetamide | salicylamides | ||
| salicylurate | salicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. salicylurate: RN given refers to parent cpd salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. | N-acylglycine; secondary carboxamide | human xenobiotic metabolite; uremic toxin |
| kainic acid | Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
| bufotenin | bufotenin : A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. Bufotenin: A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic. | tertiary amine; tryptamine alkaloid | coral metabolite; hallucinogen |
| indican | indoxyl sulfate : An aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group. | aryl sulfate; indoles | human metabolite |
| topanol 354 | Topanol 354: structure | methoxybenzenes; phenols | |
| thymoquinone | thymoquinone : A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. thymoquinone: constituent of cedarwood; can cause dermatitis; structure | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
| isocarbostyril | isoquinolinone : An isoquinoline containing one or more oxo groups. | isoquinolines | |
| 4-chromone | 4-chromone: structure given in first source chromone : The simplest member of the class of chromones that is 4H-chromene with an oxo group at position 4. | chromones; enone | |
| hydratropic acid | hydratropic acid : A 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. hydratropic acid: RN given refers to cpd without isomeric designation; structure | 2-arylpropionic acid | human xenobiotic metabolite |
| methyl red | methyl red : An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group. methyl red: RN given refers to parent cpd; structure | ||
| dibenzylamine | 10,11-dihydro-5H-dibenzo(b,f)azepine: core structure of clomipramine | ||
| benzohydroxamic acid | |||
| 3,4-toluenediamine | 3,4-toluenediamine: structure | ||
| carvacrol | carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
| olivetol | olivetol : A member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. olivetol: from cannabidiol by pyrolysis; structure | resorcinols | lichen metabolite |
| 4-hydroxyphenylethanol | 2-(4-hydroxyphenyl)ethanol : A phenol substituted at position 4 by a 2-hydroxyethyl group. 4-hydroxyphenylethanol: in chest gland secretion of galagos | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
| 4-hydroxybutyric acid | 4-hydroxybutyric acid : A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. 4-hydroxybutyric acid: was an entry term to Sodium Oxybate (74-98) | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
| 1,3-cyclohexanedione | 1,3-cyclohexanedione: structure cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3. | beta-diketone; cyclohexanedione | |
| alpha-aminopyridine | alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485 aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups. | ||
| iberin | isothiocyanate; sulfoxide | apoptosis inducer; plant metabolite; quorum sensing inhibitor | |
| oleanolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite | |
| chlorobenzilate | chlorobenzilate: structure | diarylmethane | |
| dihydroergotamine | dihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension. Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS. | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
| 1,1-dichloroacetone | |||
| hematoxylin | Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink. | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
| podophyllotoxin | Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
| hesperidin | hesperidin : A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Hesperidin: A flavanone glycoside found in CITRUS fruit peels. | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
| psilocybin | psilocybin : A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional phosphoryloxy substituent at position 4. The major hallucinogenic alkaloid isolated from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms"). Psilocybin: The major of two hallucinogenic components of Teonanacatl, the sacred mushroom of Mexico, the other component being psilocin. (From Merck Index, 11th ed) | organic phosphate; tertiary amino compound; tryptamine alkaloid | fungal metabolite; hallucinogen; prodrug; serotonergic agonist |
| medroxyprogesterone | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive | |
| androstenediol | androst-5-ene-3beta,17beta-diol : A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta. Androstenediol: An intermediate in TESTOSTERONE biosynthesis, found in the TESTIS or the ADRENAL GLANDS. Androstenediol, derived from DEHYDROEPIANDROSTERONE by the reduction of the 17-keto group (17-HYDROXYSTEROID DEHYDROGENASES), is converted to TESTOSTERONE by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-HYDROXYSTEROID DEHYDROGENASES). | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
| dihydrotestosterone | 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5. Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE. | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| physcione | physcion : A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources. physcione: structure | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
| isoquinoline-1,3,4-trione | isoquinoline-1,3,4-trione: structure in first source | ||
| pyrathiazine | pyrathiazine: RN given refers to parent cpd; structure | phenothiazines | |
| dequalinium chloride | dequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium. | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
| angelicin | angelicin: used as tranquillizer; sedative; or anticonvulsant; structure | furanocoumarin | |
| dimenhydrinate | gravinol: has antioxidant and ant-inflammatory activities; structure in first source | diarylmethane | |
| dibromsalicil | dibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic | ||
| 1,2-naphthoquinone | 1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles. naphthalene-1,2-dione: structure given in first source | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
| flavone | flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. flavone: RN given refers to unlabeled cpd; structure given in first source | flavones | metabolite; nematicide |
| 2,3-dimethylphenol | |||
| 2,4,6-trimethylphenol | hydroxytoluene | ||
| thiophene-2-carboxylate | thiophene-2-carboxylic acid : A thiophenecarboxylic acid in which the carboxy group is located at position 2. | thiophenecarboxylic acid | |
| 1,2-dinitrobenzene | dinitrobenzene | ||
| o-tolunitrile | o-tolunitrile: structure in first source | ||
| herniarin | herniarin : A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. herniarin: methoxy analog of umbelliferone; structure | coumarins | fluorochrome |
| coumarin-3-carboxylic acid | coumarin-3-carboxylic acid: structure given in first source | coumarins | |
| chrysoidine | chrysoidine: RN given refers to parent cpd; structure | ||
| chlormethiazole | Chlormethiazole: A sedative and anticonvulsant often used in the treatment of alcohol withdrawal. Chlormethiazole has also been proposed as a neuroprotective agent. The mechanism of its therapeutic activity is not entirely clear, but it does potentiate GAMMA-AMINOBUTYRIC ACID receptors response and it may also affect glycine receptors. | thiazoles | |
| dazomet | dazomet : A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide. dazomet: fumigant for poultry litter & eggs to control salmonella; structure | dithiocarbamic ester; thiadiazinane | antibacterial agent; antifungal agrochemical; herbicide; nematicide |
| 1,3-dichloroacetone | 1,3-dichloroacetone : A ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis. | ketone; organochlorine compound | |
| 2-methylfuran | 2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. | furans; volatile organic compound | flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite |
| 4,6-dinitro-o-cresol | 4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6. 4,6-dinitro-o-cresol: RN given refers to parent cpd; structure | dinitrophenol acaricide; hydroxytoluene; nitrotoluene | dinitrophenol insecticide; fungicide; herbicide |
| evernic acid | evernic acid: RN given refers to parent cpd | carbonyl compound | |
| amanozine | diamino-1,3,5-triazine | ||
| methamphetamine | methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent. Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed. | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
| nitrophenide | nitrophenide: Structure in first source | ||
| domiphen bromide | aromatic ether | ||
| dicyclohexylcarbodiimide | 1,3-dicyclohexylcarbodiimide : A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms. | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
| isovaleramide | isovaleramide: inhibits liver alcohol dehydrogenases | ||
| senecioic acid | 3-methylbut-2-enoic acid : A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. senecioic acid: structure | alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monounsaturated fatty acid; short-chain fatty acid | plant metabolite |
| maleimide | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | |
| myristic acid | Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed) tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
| trichloroacetonitrile | aliphatic nitrile; organochlorine compound | ||
| gentian violet | crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain. Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
| thiphenamil | thiphenamil: RN given refers to parent cpd; structure | diarylmethane | |
| amitriptyline hydrochloride | organic tricyclic compound | ||
| jkl 1073a | 8-oxoberberine: structure given in first source | ||
| 1-naphthylisothiocyanate | 1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage. | isothiocyanate | insecticide |
| eriodictyol | flavanones | ||
| 2-nitrobenzaldehyde | 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group. 2-nitrobenzaldehyde: structure given in first source | benzaldehydes; C-nitro compound | |
| 3-nitrophenol | 3-nitrophenols | ||
| trimesic acid | benzene-1,3,5-tricarboxylic acid : A tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5. trimesic acid: RN given refers to parent cpd | benzoic acids; tricarboxylic acid | |
| tripalmitin | tripalmitin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by palmitic (hexadecanoic) acid. tripalmitin: structure | triglyceride | |
| glycylglycine | dipeptide; dipeptide zwitterion | human metabolite | |
| octamethylcyclotetrasiloxane | octamethylcyclotetrasiloxane : A cyclosiloxane that is the octamethyl derivative of cyclotetrasiloxane. octamethylcyclotetrasiloxane: structure | cyclosiloxane; organosilicon compound | |
| thallium acetate | thallium acetate: RN given refers to Tl(+1) salt thallium(I) acetate : An acetate salt comprising equal numbers of acetate and thallium ions. | acetate salt; thallium molecular entity | apoptosis inducer; neurotoxin |
| formestane | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor | |
| chlorotrianisene | Chlorotrianisene: A powerful synthetic, non-steroidal estrogen. | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
| congo red | Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS. | bis(azo) compound | |
| 1-acetylisatin | 1-acetylisatin: structure in first source | indoledione | |
| 3-hydroxyflavone | 3-hydroxyflavone: structure given in first source flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone. | flavonols; monohydroxyflavone | |
| iodoalphionic acid | iodoalphionic acid: RN given refers to parent cpd; do not confuse biliognost with non-print entry term bilignost | stilbenoid | |
| 1-phenyl-1,2-propanedione | 1-phenyl-1,2-propanedione : An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee. 1-phenyl-1,2-propanedione: an oxoglutarate carrier antagonist | alpha-diketone; aromatic ketone | plant metabolite |
| isoxsuprine hydrochloride | alkylbenzene | ||
| 6-aminoquinoline | |||
| 2,6-dimethylnaphthalene | 2,6-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 2 and 6. 2,6-dimethylnaphthalene: RN given refers to parent cpd | dimethylnaphthalene | environmental contaminant |
| allethrins | Allethrins: Synthetic analogs of the naturally occurring insecticides cinerin, jasmolin, and pyrethrin. (From Merck Index, 11th ed) | cyclopropanecarboxylate ester | pyrethroid ester insecticide |
| toluene 2,4-diisocyanate | toluene 2,4-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. Toluene 2,4-Diisocyanate: Skin irritant and allergen used in the manufacture of polyurethane foams and other elastomers. | toluene meta-diisocyanate | allergen; hapten |
| 2-chloroacetanilide | |||
| diphenylamine | diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning. | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
| 3-tyramine | 3-tyramine: MH Tyramine refers to 4-tyramine; RN given refers to parent cpd m-tyramine : A primary amino compound that is 2-phenylethanamine substituted by a hydroxy group at position 3. | primary amino compound; tyramines | human urinary metabolite; neurotransmitter |
| betaine hydrochloride | |||
| 3,5-dichlorophenol | 3,5-dichlorophenol : A dichlorophenol in which the two chloro substituents are located at positions 3 and 5. | dichlorophenol | |
| allyl sulfide | allyl sulfide: essence of garlic; inhibits CYP2E1 | organic sulfide | |
| megestrol acetate | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive | |
| 2,2-dimethylbutyric acid | 2,2-dimethylbutyric acid : A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies. 2,2-dimethylbutyric acid: structure given in first source; plasma metabolite of simvastatin | dimethylbutyric acid | metabolite |
| glycopyrrolate | Glycopyrrolate: A muscarinic antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics. glycopyrronium bromide : A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio. | organic bromide salt; quaternary ammonium salt | |
| bromoacetone | bromoacetone : An alpha-bromoketone that is acetone in which one of the hydrogens is replaced by a bromine atom. A poweful lachrymator, it was formerly used as a chemical weapon. | alpha-bromoketone | lachrymator |
| 2-bromopropionic acid, (dl)-isomer | 2-bromopropionic acid: RN given refers to cpd without isomeric designation | ||
| 4-cumylphenol | diarylmethane | ||
| 2,3-pentanedione | pentane-2,3-dione : An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. | alpha-diketone; methyl ketone | flavouring agent |
| 2,3-dinitrotoluene | 2,3-dinitrotoluene : A dinitrotoluene that is toluene in which the hydrogens at positions 2 and 3 have been replaced by nitro groups. dinitrotoluene : Any nitrotoluene carrying two nitro substituents. | dinitrotoluene | explosive |
| 9-nitroanthracene | 9-nitroanthracene: RN given refers to cpd with locant for nitro moiety in 5 position | anthracenes | |
| alpha-naphthoflavone | alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
| 1,3-dinitronaphthalene | 1,3-dinitronaphthalene: structure given in first source | dinitronaphthalene | |
| 2-nitrofluorene | 2-nitrofluorene : A nitroarene that is fluorene substituted by a nitro group at position 2. 2-nitrofluorene: RN given refers to cpd with locant with nitro moiety in 2 position | nitroarene | carcinogenic agent; mutagen |
| 5-methylisatin | 5-methylisatin: structure in first source | ||
| indoxyl acetate | indoles | ||
| 2-methylresorcinol | |||
| pentabromophenol | |||
| 3,4,5-trichlorophenol | |||
| 2,4,6-triiodophenol | |||
| 2-anthramine | 2-anthramine: structure | anthracenamine | |
| 2-hydroxy benzimidazole | 2-hydroxy benzimidazole: structure in first source | ||
| 2,3-dichloro-1-propanol | |||
| acetylcysteine | N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
| 3,5-diaminobenzoic acid | 3,5-diaminobenzoic acid: RN given refers to parent cpd | ||
| 4,4'-bisphenol f | 4,4'-bisphenol F: RN given refers to parent cpd bisphenol F : A bisphenol that is methane in which two of the hydrogens have been replaced by 4-hydroxyphenyl groups. | bisphenol; diarylmethane | environmental food contaminant; xenoestrogen |
| isovanillin | isovanillin : A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. isovanillin: inhibits aldehyde oxidase | benzaldehydes; monomethoxybenzene; phenols | animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite |
| n-nitroso(di-n-propyl)amine | nitroso compound | ||
| dimethyl disulfide | organic disulfide | xenobiotic metabolite | |
| 3,5-dichloroaniline | dichloroaniline | ||
| 3-Bromo-1-propanol | primary alcohol | ||
| dimethyladipate | fatty acid methyl ester | ||
| pentadecane | pentadecane : A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae. | long-chain alkane | animal metabolite; plant metabolite; volatile oil component |
| tetrabromophthalic anhydride | 2-benzofurans; cyclic dicarboxylic anhydride | ||
| c.i. 42510 | basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin. Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS. | ||
| brilliant green | brilliant green : An organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion. brilliant green: RN given refers to sulfate; structure in Merck Index, 9th ed, #1378 | organic hydrogensulfate salt | antibacterial agent; antiseptic drug; environmental contaminant; fluorochrome; histological dye; poison |
| Berberine chloride (TN) | organic molecular entity | ||
| 2,4,6-trichloroaniline | |||
| 2-pyrrolecarboxylic acid | 2-pyrrolecarboxylic acid: hypocalcemic action; structure pyrrole-2-carboxylic acid : A pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2. | pyrrolecarboxylic acid | plant metabolite |
| n-phenylpyrrole | N-phenylpyrrole: structure in first source | ||
| clopamide | Clopamide: A sulfamoylbenzamide piperidine. It is considered a thiazide-like diuretic. | sulfonamide | |
| triphenyltin chloride | fentin chloride : An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a chloro group. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans. triphenyltin chloride: see also triphenyltin acetate, triphenyltin hydroxide | chlorine molecular entity; organotin compound | antifungal agrochemical; immunosuppressive agent |
| erythromycin | erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus). erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins. | cyclic ketone; erythromycin | |
| 2-propylphenol | 2-propylphenol : A member of the class of phenols that is phenol which is substituted by a propyl group at position 2. | phenols | flavouring agent; plant metabolite |
| 2'-deoxy-5'-adenosine monophosphate | 2'-deoxy-5'-adenosine monophosphate: RN given refers to parent cpd 2'-deoxyadenosine 5'-monophosphate : A purine 2'-deoxyribonucleoside 5'-monophosphate having adenine as the nucleobase. | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate | fundamental metabolite |
| agaric acid | agaric acid: adenine nucleotide translocase antagonist | ||
| gamma-thujaplicin | 2-hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone: a metal chelating agent | cyclic ketone | |
| dibutyldichlorotin | |||
| methyl diethyldithiocarbamate | |||
| 2,3,5-trimethylquinol | 2,3,5-trimethylhydroquinone : A member of the class of hydroquinones that is hydroquinone substituted by methyl groups at positions 2, 3 and 5. 2,3,5-trimethylquinol: reducing agent | hydroquinones; methylbenzene | |
| phenylphosphate | phenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol. phenylphosphate: structure given in first source | aryl phosphate | mouse metabolite |
| 2-hydroxy-1-naphthaldehyde | 2-hydroxy-1-naphthaldehyde : A member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). 2-hydroxynaphthaldehyde: structure in first source | naphthaldehydes; naphthols | |
| 5-fluoro-alpha-methyltryptamine | 5-fluoro-alpha-methyltryptamine: RN given refers to parent cpd | ||
| biphenyl-3-carboxylic acid | biphenyl-3-carboxylic acid: structure in first source | ||
| 2-phenylbenzimidazole | 2-phenylbenzimidazole: structure in first source | ||
| n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide | N-dichlorofluoromethylthio-N',N'-dimethyl-N-p-tolylsulfamide: an endocrine disruptor; structure given in first source tolylfluanid : A member of the class of sulfamides that is dichlofluanid in which the hydrogen at the para position of the phenyl group is replaced by a methyl group. A fungicide first marketed in 1971 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union. | organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides | antifungal agrochemical; genotoxin |
| phosmet | Phosmet: An organothiophosphorus insecticide that has been used to control pig mange. | organic thiophosphate; organothiophosphate insecticide; phthalimides | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| 2,4,6-tri-tert-butylphenol | |||
| eptc | EPTC: minor descriptor (72-82); online & Index Medicus search HERBICIDES, CARBAMATE (72-82) | tertiary amine | |
| 1,2-cyclohexanedione | cyclohexane-1,2-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 2. cyclohexanedione : Cyclohexanones carrying two oxo substituents. | cyclohexanedione | |
| indole-3-acetic acid ethyl ester | indole-3-acetic acids | ||
| phenyltriethoxysilane | |||
| o,p'-ddt | o,p'-DDT: RN given refers to cpd without isomeric designation. | diarylmethane | |
| n-(1,3-dimethylbutyl)-n'-phenyl-1,4-phenylenediamine | N-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine: antiozonant | ||
| levonorgestrel | Levonorgestrel: A synthetic progestational hormone with actions similar to those of PROGESTERONE and about twice as potent as its racemic or (+-)-isomer (NORGESTREL). It is used for contraception, control of menstrual disorders, and treatment of endometriosis. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
| chloracizine | chloracizine: RN given refers to parent cpd; structure | ||
| calcium lactate | |||
| 2-hydroxyethyl acrylate | |||
| 4-phenoxyphenol | phenoxyphenol | ||
| 1-phenylazo-2-naphthol | 1-phenylazo-2-naphthol: RN given refers to cpd without isomeric designation | ||
| n-hydroxy-4-acetylaminostilbene | N-hydroxy-4-acetylaminostilbene: structure | ||
| boldenone | boldenone : An 3-oxo-Delta(1),Delta(4)-steroid substituted by an oxo group at position 3 and a beta-hydroxy group at position 17. It is an anabolic androgenic steroid that has been developed for veterinary use. boldenone: RN given refers to (17beta)-isomer | 17beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; anabolic androgenic steroid | |
| vinblastine | |||
| n-methylpyrrolidone | 1-methylpyrrolidin-2-one: structure in first source N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group. | lactam; N-alkylpyrrolidine; pyrrolidin-2-ones | polar aprotic solvent |
| 3-hydroxypicolinic acid | monocarboxylic acid; monohydroxypyridine | MALDI matrix material | |
| tetrachloronitrobenzene | |||
| diphenyl disulfide | benzenes | ||
| terbutryne | terbutryn : A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively. | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| 1,4-androstadiene-3,17-dione | 1,4-androstadiene-3,17-dione: structure androsta-1,4-diene-3,17-dione : A steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17. | 17-oxo steroid; 3-oxo-Delta(1) steroid; 3-oxo-Delta(4) steroid | |
| etonitazene | etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals | ||
| 1,1,1-trichloroacetone | |||
| dodecylamine | dodecylamine: RN given refers to parent cpd | primary aliphatic amine | |
| 2,3,5-trichlorophenol | |||
| 3-methoxycatechol | 3-methoxycatechol : A member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35). | aromatic ether; catechols | G-protein-coupled receptor agonist |
| 2-aminobenzimidazole | 2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. 2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd | benzimidazoles | marine xenobiotic metabolite |
| 3-hydroxy-1-benzopyran-2-one | 3-hydroxycoumarin: Photoprotective from sea urchin gametes and embryonic cells; structure in first source hydroxycoumarin : Any coumarin carrying at least one hydroxy substituent. | hydroxycoumarin | |
| n-phenylmaleimide | N-phenylmaleimide: structure in Merck Index, 9th ed, #7104 | ||
| 2-phenylindole | alpha-phenylindole: RN given refers to parent cpd | phenylindole | |
| methylparaoxon | C-nitro compound | ||
| methidathion | methidathion: widely used on citrus, tobacco, alfalfa, cotton, sorghum & several other crops | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| deoxycytidine | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| deoxyuridine | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| 2,6-dichloroindophenol | 2,6-dichloroindophenol : A quinone imine that is indophenol substituted by chloro groups at positions 2 and 6. 2,6-Dichloroindophenol: A dye used as a reagent in the determination of vitamin C. N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine : 1,4-benzoquinone imine having a 3,5-dichloro-4-hydroxyphenyl substituent attached to the nitrogen atom. | dichlorobenzene; quinone imine | |
| 2'-deoxyadenosine | 2'-deoxyformycin A: RN not in Chemline 9/85; RN and structure given in first source | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| azure a | azure A : An organic chloride salt having 3-amino-7-(dimethylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining. Azure A: RN given refers to chloride | ||
| moxisylyte hydrochloride | monoterpenoid | ||
| ethylestrenol | ethylestrenol : A 17beta-hydroxy steroid that is estrane containing a double bond between positions 4 and 5 and substituted by an ethyl group and a hydroxy group at the 17alpha and 17beta positions, respectively. It is an anabolic steroid that has little androgenic effect and only slight progestational activity. It has been used to promote growth in boys with delayed bone growth. Ethylestrenol: An anabolic steroid with some progestational activity and little androgenic effect. | 17beta-hydroxy steroid; tertiary alcohol | anabolic agent |
| dinobuton | dinobuton: Russian drug; structure | C-nitro compound | |
| estradiol valerate | steroid ester | ||
| rhodamine 6g | rhodamine 6G: RN given refers to HCl | ||
| benzopurpurine 4b | benzopurpurine 4B: structure | ||
| hexamethylsilazane | hexamethylsilazane: RN given refers to parent cpd | N-silyl compound | chromatographic reagent |
| pyrrolnitrin | pyrrolnitrin : A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively. Pyrrolnitrin: 3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole. Antifungal antibiotic isolated from Pseudomonas pyrrocinia. It is effective mainly against Trichophyton, Microsporium, Epidermophyton, and Penicillium. | alkaloid; C-nitro compound; monochlorobenzenes; pyrroles | antifungal drug; bacterial metabolite |
| endosulfan sulfate | |||
| deoxycytidine monophosphate | 2'-deoxycytosine 5'-monophosphate : A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having cytosine as the nucleobase. Deoxycytidine Monophosphate: Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions. | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; mouse metabolite |
| n-butyl gallate | |||
| dichlofluanid | dichlofluanid : A member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitrogen are replaced by a phenyl and a [dichloro(fluoro)methyl]sulfanediyl group. A fungicide introduced in 1965 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union. dichlofluanid: structure | organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides | acaricide; antifungal agrochemical |
| c 137 | C 137: RN given refers to parent cpd | ||
| nicotinamide mononucleotide | Nicotinamide Mononucleotide: 3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN. | nicotinamide mononucleotide | Escherichia coli metabolite; mouse metabolite |
| pebulate | pebulate: structure | tertiary amine | |
| metformin hydrochloride | metformin hydrochloride : A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride. | hydrochloride | environmental contaminant; hypoglycemic agent; xenobiotic |
| dodecyltrimethylammonium bromide | dodecyltrimethylammonium bromide : A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen. | bromide salt; quaternary ammonium salt | surfactant |
| tetradecyltrimethylammonium bromide | organic molecular entity | ||
| 1,3-propane sultone | 1,3-propane sultone: sultone is usually defined as a derivative of 1,8-naphtholsulfonic acid; structure | sultone | |
| 4-aminophenylarsenoxide | 4-aminophenylarsenoxide: RN given refers to parent cpd | ||
| 2-phenylpropanol | 2-phenylpropanol-1: RN given refers to cpd without isomeric designation | benzenes | |
| tetramethylpyrazine | tetramethylpyrazine : A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii). tetramethylpyrazine: found in Ligusticum chuanxiong | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
| 4,4'-dimethyl-2,2'-bipyridine | 4,4'-dimethyl-2,2'-bipyridine: structure in first source | ||
| 2,2'-diaminodiphenyldisulfide | 2,2'-diaminodiphenyldisulfide: resin hardener | ||
| pyrovalerone | pyrovalerone: RN given refers to parent cpd; synonyms F 1983 & Centroton refer to HCl; structure | aromatic ketone | |
| 3,3',4',5-tetrachlorosalicylanilide | 3,3',4',5-tetrachlorosalicylanilide : A salicylanilide derivative with chloride substituents at C-3 and C-5 of the salicylate moiety and at C-3 and C-4 of the anilide moiety. | dichlorobenzene; salicylanilides | drug allergen |
| lauryl gallate | gallate ester | ||
| citiolone | citiolone: RN given refers to cpd without isomeric designation; structure | N-acyl-amino acid | |
| 4-((diethylamino)sulfonyl)benzoic acid | 4-((diethylamino)sulfonyl)benzoic acid: do not confuse with ethamide which is an entry term to PROBENECID | sulfonamide | |
| 2-amino-7-nitrofluorene | 2-amino-7-nitrofluorene: structure in first source | ||
| furazabol | furazabol: structure | steroid | |
| dehydroepiandrosterone acetate | 3beta-acetoxyandrost-5-en-17-one: structure in first source | steroid ester | |
| ethidium bromide | organic bromide salt | geroprotector; intercalator; trypanocidal drug | |
| testosterone 17-phenylpropionate | steroid ester | ||
| carmine | Carmine: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker. | ||
| amylmetacresol | amylmetacresol : A phenol having the structure of m-cresol substituted at the 6-position with an amyl group. amylmetacresol: topical antiseptic for treatment of sore throat; structure in first source | phenols | antiseptic drug |
| tribromsalan | tribromosalicylanilide : A salicylanilide derivative with bromo- substituents at C-3 and C-5 of the salicylate moiety and at C-4 of the anilide moiety. tribromsalan: germicide; structure | salicylanilides | |
| arsenic trioxide | Arsenic Trioxide: An inorganic compound with the chemical formula As2O3 that is used for the treatment of ACUTE PROMYELOCYTIC LEUKEMIA in patients who have relapsed from, or are resistant to, conventional drug therapy. | ||
| tricarballylic acid | tricarballylic acid : A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group. tricarballylic acid: RN given refers to parent cpd | tricarboxylic acid | |
| antimycin a | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide | |
| vancomycin | vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear. | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
| glycyrrhizic acid | glycyrrhizinic acid : A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
| d-alpha tocopherol | (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen. Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS. | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
| dinoterb | C-nitro compound; phenols | ||
| desacetamidocolchicine | desacetamidocolchicine: structure given in first source | ||
| sapropterin | aromatic ketone | ||
| pregnenolone carbonitrile | Pregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage. | aliphatic nitrile | |
| 2-methyladenine | methyladenine : Any member of the class of 6-aminopurines that is adenine bearing a single methyl substituent. | ||
| tetrabutyltin | |||
| n-(1-naphthyl)ethylenediamine dihydrochloride | N-(1-naphthyl)ethylenediamine dihydrochloride : An ethylenediamine dihydrochloride compound having an N-(1-naphthyl) substituent. | hydrochloride | |
| flurandrenolone | Flurandrenolone: A corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733) | 21-hydroxy steroid | |
| penicillin g benzathine anhydrous | benzathine(2+) salt | ||
| bisphenol a-glycidyl methacrylate | Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials. | diarylmethane | |
| 4-toluenesulfonyl hydrazide | |||
| 2,4-dinitrothiocyanatobenzene | 2,4-dinitro-1-thiocyanatobenzene : A thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom. | C-nitro compound; thiocyanates | hapten; tolerogen |
| daminozide | daminozide: induces tumors | straight-chain fatty acid | |
| vincamine | Vincamine: A major alkaloid of Vinca minor L., Apocynaceae. It has been used therapeutically as a vasodilator and antihypertensive agent, particularly in cerebrovascular disorders. | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
| azaperone | azaperone : An N-arylpiperazine that is 2-(piperazin-1-yl)pyridine in which the amino hydrogen is replaced by a 3-(4-fluobenzoyl)propyl group. Used mainly as a tranquiliser for pigs and elephants. Azaperone: A butyrophenone used in the treatment of PSYCHOSES. | aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist |
| diphenyldiselenide | diphenyldiselenide: structure given in first source | ||
| 4-hydroxyazobenzene | 4-hydroxyazobenzene: structure in first source | ||
| ioxynil | ioxynil : A nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5. ioxynil: RN given refers to parent cpd; structure | iodophenol; nitrile | environmental contaminant; herbicide; xenobiotic |
| bromoxynil | 3,5-dibromo-4-hydroxybenzonitrile : A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. bromoxynil: RN given refers to parent cpd; structure | dibromobenzene; hydroxynitrile; phenols | environmental contaminant; herbicide; xenobiotic |
| bromoxynil octanoate | |||
| clopyralid | clopyralid : An organochlorine pesticide having a 3,6-dichlorinated picolinic acid structure. | organochlorine pesticide; pyridines | herbicide |
| bromocyclen | bromocyclene: structure | organochlorine compound | |
| 2-amino-6-methoxybenzothiazole | 2-amino-6-methoxybenzothiazole: RN given refers to parent cpd | ||
| 1,2-diaminoanthraquinone | |||
| 5,5'-dimethyl-2,2'-bipyridyl | 5,5'-dimethyl-2,2'-bipyridyl: structure in first source | bipyridines | |
| azacyclonol | azacyclonol: major descriptor (65-84); on-line search PIPERIDINES (65-84); Index Medicus search AZACYCLONOL (65-84); RN given refers to parent cpd | diarylmethane | |
| 4-octylphenol | 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. 4-octylphenol: xenoestrogen | phenols | metabolite; surfactant; xenoestrogen |
| 2-bromo-4,6-dinitroaniline | 2-bromo-4,6-dinitroaniline: used in synthesis of commercially significant monoazo dyes | ||
| 5-methyltryptamine | 5-methyltryptamine: RN given refers to parent cpd | tryptamines | |
| pentachloromethylthiobenzene | |||
| pentachloroanisole | |||
| stearylamine | octadecan-1-amine : An 18-carbon primary aliphatic amine. stearylamine: RN given refers to parent cpd | primary aliphatic amine | film-forming compound |
| (2-hydroxy-4-(octyloxy)phenyl)phenylmethanone | 2-hydroxy-4-octyloxybenzophenone: exhibits pseudo-positive initiation activity in carcinogenesis; structure in first source | benzophenones | |
| tetrachloroisophthalonitrile | chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. tetrachloroisophthalonitrile: structure | aromatic fungicide; dinitrile; tetrachlorobenzene | antifungal agrochemical |
| picloram | picloram : A pyridinemonocarboxylic acid that is pyridine-2-carboxylic acid which is substituted by a chloro group at positions 3,5 and 6, and by an amino group at position 4. It is a systemic herbicide used to control deeply rooted herbaceous weeds and woody plants in rights-of-way, forestry, range lands, pastures, and small grain crops. Picloram: A picolinic acid derivative that is used as a herbicide. | aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid | herbicide; synthetic auxin |
| orange g | orange G : An organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary. | ||
| tetrabutylammonium | tetrabutylammonium: lipophilic probe; RN given refers to parent cpd | quaternary ammonium ion | |
| 2-tert-butylhydroquinone | 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent | hydroquinones | food antioxidant |
| 5-hydroxyindole | hydroxyindoles | human metabolite | |
| dronabinol | Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound. | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
| 11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine | 11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine: structure given in first source | ||
| 2-chloro-11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine | 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine: structure given in first source | ||
| methylene diphosphonate | medronic acid : A 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups. | 1,1-bis(phosphonic acid) | bone density conservation agent; chelator |
| calotropin | calotropin: structure in first source | cardenolide glycoside | |
| phenylguanidine | phenylguanidine: RN given refers to parent cpd | ||
| n-tetradecylamine | N-tetradecylamine: RN given refers to parent cpd | alkylamine | |
| amiloride | amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid. Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705) | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
| 3-phenylpropylamine | 3-phenylpropylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group. | benzenes; phenylalkylamine; primary amino compound | |
| diallyl trisulfide | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent | |
| 5,6-chrysenequinone | 5,6-chrysenequinone: structure in first source | ||
| n-methylisatin | N-methylisatin: structure given in first source | ||
| pimozide | pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group. Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403) | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
| benperidol | Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567) | aromatic ketone | |
| 7-hydroxychlorpromazine | 7-hydroxychlorpromazine: RN given refers to parent cpd | phenothiazines | |
| bromophos | bromophos: minor descriptor (72-83); on-line & Index Medicus search ORGANOTHIOPHOSPHORUS COMPOOUNDS (72) & INSECTICIDES (72) & INSECTICIDES, ORGANOTHIOPHOSPHATE (73-83); structure | organic thiophosphate | |
| perillaldehyde | perillaldehyde: from oil of Perillae herba; has neuropharmacological actions; RN given refers to cpd without isomeric designation; structure in Merck Index, 9th ed, #6956 perillyl aldehyde : An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4. | aldehyde; olefinic compound | human metabolite; mouse metabolite; volatile oil component |
| fluorenone oxime | |||
| 2,4-diacetylphloroglucinol | 2,4-diacetylphloroglucinol : A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups. 2,4-diacetylphloroglucinol: produced by Pseudomonas aurantiaca | aromatic ketone; benzenetriol; diketone; methyl ketone | antifungal agent; bacterial metabolite |
| fluometuron | fluometuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a 3-(trifluoromethyl)phenyl group while the other is substituted by two methyl groups. It is a herbicide used for the control of broadleaf weeds and annual grasses in cotton. fluometuron: RN given refers to parent cpd; structure | (trifluoromethyl)benzenes; 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic |
| guanoxan | guanoxan: was MH 1976-92 (see under GUANIDINES 1976-90); use GUANIDINES to search GUANOXAN 1976-92; antihypertensive agent similar in its mechanism of action to guanethidine; may cause liver damage | benzodioxine | |
| n-methyllaurotetanine | N-methyllaurotetanine: structure in first source | ||
| azaribine | azaribine : A N-glycosyl-1,2,4-triazine that is 6-azauridine acetylated at positions 2', 3' and 5' on the sugar ring. It is a prodrug for 6-azauridine and is used for treatment of psoriasis. azaribine: pyrimidine analogue; anti-metabolite used in psoriasis & mycosis fungoides; | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
| diallyl disulfide | diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. diallyl disulfide: major constituent of garlic oil | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
| mofebutazone | mofebutazone : A pyrazolidine that is phenylbutazone lacking one of the phenyl substituents. It is used for treatment of joint and muscular pain. mofebutazone: RN given refers to parent cpd; structure | pyrazolidines | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| menthol | (-)-menthol : A p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer. (+-)-menthol : A racemate comprising equimolar amounts of (+)- and (-)-menthol. Both (+-)- and (-)-menthol are used to relieve symptoms of conditions such as bronchitis and sinusitis. When applied to the skin, menthol dilates the blood vessels, giving a sensation of coldness followed by an analgesic effect that relieves itching. It is therefore used in creams and ointments for the relief of pruritis and urticaria. | p-menthan-3-ol | antipruritic drug; antispasmodic drug; antitussive |
| (nitrilotris(methylene))triphosphonic acid | (nitrilotris(methylene))triphosphonic acid: RN given refers to parent cpd; an antiscalant | phosphonoacetic acid | |
| carvone, (s)-isomer | (+)-carvone : A carvone having (S) configuration. | carvone | |
| phenethyl isothiocyanate | phenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
| glaucine | glaucine: RN given refers to (+-)-isomer | aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound | antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite |
| ethoxazene | azobenzenes | ||
| fluorescein | fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy. Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor. | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
| 3,4-dichlorophenylurea | 3,4-dichlorophenylurea: structure in first source diuron-desdimethyl : A member of the class of ureas that is urea substituted by a 3,4-dichlorophenyl group at position 1. It is a metabolite of the herbicide diuron. | dichlorobenzene; phenylureas | marine xenobiotic metabolite |
| 5-fluorocytidine | 5-fluorocytidine: isolated from DNA of Escherichia coli grown in presence of 5-fluorouracil; structure; RN given refers to parent cpd | cytidines; organofluorine compound | |
| 2-methoxy-1,4-naphthoquinone | 2-methoxy-1,4-naphthoquinone : A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. 2-methoxy-1,4-naphthoquinone: isolated from Swertia calycina; structure in first source | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
| methyl thioglycolate | methyl thioglycolate: RN given refers to parent cpd | ||
| mirex | Mirex: An organochlorine insecticide that is carcinogenic. | chlorocarbon; organochlorine insecticide | persistent organic pollutant |
| thioflavin t | thioflavin T: RN given refers to chloride; structure thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo. | organic chloride salt | fluorochrome; geroprotector; histological dye |
| thioflavin t | thioflavin T cation : A benzothiazolium ion obtained by methylation of the thiazole nitrogen of 2-[4-(dimethylamino)phenyl]-6-methyl-1,3-benzothiazole; the cationic component of thioflavin T. | benzothiazolium ion | |
| ethyl violet | ethyl violet : An organic chloride salt that is the monochloride salt of ethyl violet cation. Used for inclusion in mixed dye solutions of the iron resorcin fuchsin type for demonstrating elastic fibres. ethyl violet: RN given refers to parent cpd | organic chloride salt | fluorochrome; histological dye |
| oxiniacic acid | aromatic carboxylic acid; pyridines | ||
| 2-tert-butyl-4-methylphenol | 2-tert-butyl-4-methylphenol: RN given refers to cpd with locants | ||
| captafol | captafol : A dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community. captafol: RN given refers to cpd with specified chlorine locants | isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
| 1,4-bis(2,3-epoxypropoxy)butane | |||
| n-butyl glycidyl ether | n-butyl glycidyl ether: structure | ||
| beta-citronellene | beta-citronellene: structure in first source | ||
| alpha-terpineol | terpineol : A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent. | terpineol | plant metabolite |
| dodine | 1-dodecylguanidine acetate : An acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries. dodine: RN given refers to parent cpd; structure | acetate salt; aliphatic nitrogen antifungal agent | antibacterial agent; antifungal agrochemical |
| sulfadoxine | sulfadoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial. Sulfadoxine: A long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections. | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
| 1,3,5-triglycidyl-s-triazinetrione | |||
| benzophenoneidum | auramine O : A hydrochloride obtained by combining 4,4'-carbonimidoylbis(N,N-dimethylaniline) with one molar equivalent of hydrogen chloride. A fluorescent stain for demonstrating acid fast organisms in a method similar to the Ziehl Neelsen. It also can be used to make a fluorescent Schiff reagent. Benzophenoneidum: An aniline dye used as a disinfectant and an antiseptic agent. It is weakly fluorescing and binds specifically to certain proteins. | hydrochloride | fluorochrome; histological dye |
| n-acetylimidazole | N-acylimidazole | ||
| disperse blue 1 | anthraquinone | ||
| 4-(octyloxy)benzoic acid | benzoic acids | ||
| tetrapentylammonium | tetrapentylammonium: RN given refers to parent cpd | quaternary ammonium ion | |
| antazoline hydrochloride | |||
| 3-(trimethoxysilyl)propyl methacrylate | 3-(trimethoxysilyl)propyl methacrylate: structure in first source | ||
| benzyl acetone | benzyl acetone: a dominant floral attractant | ketone | |
| pontamine sky blue | |||
| direct red 81 | Direct Red 81: RN given refers to disodium salt; structure given in first source Sirius red 4B : An organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods. | ||
| diphenylborinic acid | diphenylborinic acid: structure given in first source | ||
| 1,2-benzisothiazoline-3-one | 1,2-benzisothiazoline-3-one: a preservative in water-based solutions such as paints, cutting fluids, printing inks, cleaning agents, polyvinyl chloride gloves, etc. benzo[d]isothiazol-3-one : An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. | organic heterobicyclic compound; organonitrogen heterocyclic compound | disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic |
| azinphos ethyl | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
| 6-chrysenamine | 6-chrysenamine: may cause splenic atrophy and leukopenia; minor descriptor (76-84); on-line & Index Medicus search PHENANTHRENES (76-84) | carbopolycyclic compound | |
| 4-nitrohippuric acid | 4-nitrohippuric acid: major metabolite of 4-nitrobenzoic acid | ||
| bis(4-oxyphenyl)sulfide | 4,4'-thiodiphenol: structure in first source | phenols | |
| 3-aminofluoranthene | 3-aminofluoranthene: structure given in first source | ||
| o-chlorobenzylidenemalonitrile | o-Chlorobenzylidenemalonitrile: A riot control agent which causes temporary irritation of the eyes and the mucosal surface of the respiratory tract. It is a more potent irritant than OMEGA-CHLOROACETOPHENONE, but less incapacitating. | organochlorine compound | |
| thiocholchicine | thiocholchicine: RN refers to (S)-isomer | ||
| acetophenazine | acetophenazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2. acetophenazine: major descriptor (73-85); minor descriptor (64-72); on-line search PHENOTHIAZINES (64-85); Index Medicus search PHENOTHIAZINES (64-72); ACETOPHENAZINE (73-85); RN given refers to parent cpd | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
| Cypromid | anilide | ||
| bromotriethylstannane | bromotriethylstannane: not the bromide salt of triethyltin; inhibits red cell & yeast hexokinase | ||
| 1,12-dodecamethylenediamine | 1,12-dodecamethylenediamine: RN given refers to parent cpd dodecane-1,12-diamine : An alkane-alpha,omega-diamine that is dodecane substituted by amino groups at positions 1 and 12. | alkane-alpha,omega-diamine | |
| isophorone diamine | isophorone diamine: curing agent for polymers; structure given in first source; RN given refers to parent cpd | ||
| chlordesmethyldiazepam | benzodiazepine | ||
| 2-amino-2',5-dichlorobenzophenone | 2-amino-2',5-dichlorobenzophenone: structure given in first source | ||
| benzyl thiocyanate | benzyl thiocyanate: increases activities of anhydrotetracycline oxygenase | thiocyanates | |
| dichloroacetonitrile | dichloroacetonitrile: by-product of water chlorination; structure given in first source | aliphatic nitrile | |
| stavudine | stavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV. | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| doxifluridine | doxifluridine : A pyrimidine 5'-deoxyribonucleoside that is 5-fluorouridine in which the hydroxy group at the 5' position is replaced by a hydrogen. It is an oral prodrug of the antineoplastic agent 5-fluorouracil. Designed to circumvent the rapid degradation of 5-fluorouracil by dihydropyrimidine dehydrogenase in the gut wall, it is converted into 5-fluorouracil in the presence of pyrimidine nucleoside phosphorylase. | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
| sudan red | |||
| 6-aminonicotinic acid | 6-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring. 6-aminonicotinic acid: RN given refers to parent cpd | aminonicotinic acid; aminopyridine; aromatic amine | metabolite |
| dibromoacetonitrile | dibromoacetonitrile: by-product of water chlorination; structure given in first source | aliphatic nitrile | |
| 2,2-bis(bromomethyl)-1,3-propanediol | 2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source | primary alcohol | |
| tri-(2-ethylhexyl)trimellitate | tri-(2-ethylhexyl)trimellitate: authors commonly refer to it as trioctyl trimellitate | benzoate ester | |
| 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane | 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane: a flame retardant and androgen receptor agonist; structure in first source | ||
| fluorescein-5-isothiocyanate | fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques. Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques. | fluorescein isothiocyanate | |
| dithianone | dithianon : A naphthodithiin that is 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin which is substituted by nitrile groups at positions 2 and 3. It is a broad spectrum fungicide used to control scab, downy mildew, rust, and leaf spot in the commercial growing of grapes and other fruit, citrus, coffee, and vegetables. dithianone: structure | dinitrile; naphthodithiin; p-quinones | antifungal agrochemical |
| 2-chloro-4,6-diamino-s-triazine | chloro-1,3,5-triazine; diamino-1,3,5-triazine | ||
| n-(4-dimethylamino-3,5-dinitrophenyl)maleimide | |||
| palmatine | burasaine: structure in first source | berberine alkaloid; organic heterotetracyclic compound | plant metabolite |
| pentaerythrityl triacrylate | pentaerythrityl triacrylate: acrylate derivative found in ultraviolet curing inks; causes contact dermatitis | ||
| 10,11-dihydrocarbamazepine | |||
| cyclic cmp | 3',5'-cyclic CMP : A 3',5'-cyclic pyrimidine nucleotide having cytosine as the nucleobase. Cyclic CMP: A cyclic nucleotide formed from CYTIDINE TRIPHOSPHATE by the action of cytidylate cyclase. It is a potential cyclic nucleotide intracellular mediator of signal transductions. | 3',5'-cyclic pyrimidine nucleotide | human metabolite |
| n-butylbenzenesulfonamide | N-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. N-butylbenzenesulfonamide: a neurotoxic plasticising agent | sulfonamide | neurotoxin; plant metabolite |
| chlorophacinone | chlorophacinone: structure | beta-triketone; diarylmethane | |
| tranylcypromine | (1R,2S)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1R,2S)-enantiomer of tranylcypromine. tranylcypromine : A racemate comprising equal amounts of (1R,2S)- and (1S,2R)-2-phenylcyclopropan-1-amine. An irreversible monoamine oxidase inhibitor that is used as an antidepressant (INN tranylcypromine). Tranylcypromine: A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311) | 2-phenylcyclopropan-1-amine | |
| nafenopin | 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid : A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether. nafenopin : A racemate comprising equimolar amounts of (R)- and (S)-nafenopin. It is a peroxisome proliferator that is used experimentally to promote liver tumors. It has been used as an hypolipidemic agent. Nafenopin: A peroxisome proliferator that is used experimentally to promote liver tumors. It has been used as an antihyperlipoproteinemic agent. | aromatic ether; monocarboxylic acid | |
| 2-pentylfuran | 2-pentylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks. 2-pentylfuran: structure in first source | furans | Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component |
| 2-(alpha-thenoylamino)-2-nitro-5-thiazole | 1,3-thiazoles; C-nitro compound | ||
| streptomycin | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor | |
| nitroxoline | nitroxoline : A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. nitroxoline: structure in Merck Index, 9th ed, #6475; RN given refers to parent cpd | C-nitro compound; monohydroxyquinoline | antifungal agent; antiinfective agent; antimicrobial agent; renal agent |
| 4-chlorophenylbiguanide | |||
| bitoscanate | bitoscanate: anthelmintic; minor descriptor (75-83); on-line & Index Medicus search THIOCYANATES (75-83); structure | benzenes | |
| dideoxyadenosine | Dideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite. | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
| 2-octanol | 2-octanol: RN given refers to cpd without isomeric designation octan-2-ol : An octanol carrying the hydroxy group at position 2. | octanol; secondary alcohol | plant metabolite; volatile oil component |
| clonidine hydrochloride | dichlorobenzene | ||
| isobutylparaben | isobutylparaben: structure in first source | 4-hydroxybenzoate ester | |
| 2,2',4'-trichloroacetophenone | |||
| 9-benzyladenine | |||
| cladribine | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent | |
| hyaluronoglucosaminidase | kinetin riboside: preferentially induces apoptosis by modulating Bcl-2 family proteins and caspase-3 in cancer cells; structure in first source | purine nucleoside | |
| alpha-tocopherol succinate | hemisuccinate; tocol | ||
| mono-(2-ethylhexyl)phthalate | mono-(2-ethylhexyl)phthalate: RN given refers to parent cpd mono(2-ethylhexyl) phthalate : The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. | phthalic acid monoester | |
| beclomethasone | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug | |
| 2,4,5-trimethoxybenzaldehyde | asaronaldehyde: from Piper clusii (Piperaceae); structure in first source | carbonyl compound | |
| nitralin | nitralin: structure | C-nitro compound | |
| fluorophene | benzamides | ||
| 1,6-bismaleimidohexane | |||
| 1-chlorohexadecane | |||
| 2,3,4,5-tetrachlorophenate | 2,3,4,5-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 5. tetrachlorophenol : A chlorophenol that is phenol in which four of the hydrogens attached to the benzene ring are replaced by chlorines. tetrachlorophenol: RN given refers to cpd with unspecified isomeric designation; see also record for 2,3,4,6-tetrachlorophenol | tetrachlorophenol | xenobiotic metabolite |
| estradiol enanthate | steroid ester | ||
| trimetazidine | Trimetazidine: A vasodilator used in angina of effort or ischemic heart disease. | aromatic amine | |
| dexpropranolol | propranolol | ||
| canadine, (s)-isomer | (S)-canadine : The (S)-enantiomer of canadine. | an (S)-7,8,13,14-tetrahydroprotoberberine; canadine | plant metabolite |
| oxycarboxin | oxycarboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-4,4-dioxo-1,4-oxathiine-3-carboxylic acid. A fungicide for the control of rust diseases on ornamentals, cereals and nursery trees as well as fairy rings on turf. oxycarboxin: structure | anilide; anilide fungicide; organosulfur heterocyclic compound; oxacycle; sulfone | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| 1-hydroxypyrene | 1-hydroxypyrene: pyrene metabolite; RN given refers to parent cpd | pyrenes | |
| imidocarb | Imidocarb: One of ANTIPROTOZOAL AGENTS used especially against BABESIA in livestock. Toxicity has been reported. | ureas | antiprotozoal drug |
| 5-nitroindazole | |||
| buquinolate | |||
| 1-nitropyrene | nitroarene | carcinogenic agent | |
| vidarabine | adenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
| diadenosine tetraphosphate | P(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions. | diadenosyl tetraphosphate | Escherichia coli metabolite; mouse metabolite |
| alverine citrate | citrate salt; organoammonium salt | antispasmodic drug; cholinergic antagonist | |
| chlordantoin | chlordantoin: structure | imidazolidine-2,4-dione | |
| betamethasone-17,21-dipropionate | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester | antipsoriatic | |
| chlorpyrifos-methyl | chlorpyrifos-methyl : An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
| o,o-diethyl o-3,5,6-trichloro-2-pyridyl phosphate | |||
| isostearate | 16-methylheptadecanoic acid : A methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16. | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
| maleic hydrazide | Maleic Hydrazide: 1,2-Dihydro-3,6-pyridazinedione. A herbicide and plant growth regulator; also used to control suckering of tobacco. Its residue in food and tobacco is highly toxic, causing CNS disturbances and liver damage. | pyridazinone | |
| 3,3',5'-triiodothyronine | iodothyronine | human metabolite | |
| limonene | limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA). | cycloalkene; p-menthadiene | human metabolite |
| cetylpyridinium chloride | hydrate | ||
| olsalazine | olsalazine : An azobenzene that consists of two molecules of 4-aminosalicylic acid joined by an azo linkage. A prodrug for mesalazine, an anti-inflammatory drug, it is used (as the disodium salt) in the treatment of inflammatory bowel disease. olsalazine: cpd with 2 salicylate molecules linked together by an azo bond | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
| cyclophosphamide | cyclophosphamide hydrate : The monohydrate of cyclophosphamide. | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent |
| 2,2'-dihydroxy-6,6'-dinaphthyldisulfide | 2,2'-dihydroxy-6,6'-dinaphthyldisulfide: structure | ||
| nsc 520594 | |||
| diazoline | diazoline : A five-membered organic heteromonocyclic compound containing two nitrogen atoms and a double bond. diazoline: see also record for mebhydroline, RN: 524-81-2 | polymer | |
| chlorphenamidine | Chlorphenamidine: An acaricide used against many organophosphate and carbamate resistant pests. It acts as an uncoupling agent and monoamine oxidase inhibitor. | ||
| octocrylene | diarylmethane | ||
| cyclobenzaprine hydrochloride | cyclobenzaprine hydrochloride : The hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. | hydrochloride | antidepressant; muscle relaxant |
| bromamine acid | bromamine acid: structure given in first source | ||
| methylene bis(thiocyanate) | methylene bis(thiocyanate) : A member of the class of thiocyanates that is methane in which two of the hycrogens have been replaced by thiocyanato groups. Used as a biocide for the control of various pathogens and algae in industrial water systems and as a fungicide for the control of surface moulds and sapstain fungi on wood. | thiocyanates | antibacterial agent; fungicide |
| c.i. acid red 114, disodium salt | C.I. Acid Red 114: source gives many trade names; structure in first source | ||
| 3,5,6-trichloro-2-pyridinol | 3,5,6-trichloro-2-pyridinol : A hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos. 3,5,6-trichloro-2-pyridinol: RN given refers to parent cpd 3,5,6-trichloropyridine-2-one : A pyridone that is pyridin-2(1H)-one substituted by chloro groups at positions 3, 5 and 6. It is a metabolite of the agrochemical chlorpyrifos. | chloropyridine; hydroxypyridine; pyridone | human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite |
| 2-hydroxy-7-nitrofluorene | 2-hydroxy-7-nitrofluorene: structure in first source | ||
| 3-deazaadenosine | 3-deazaadenosine: RN given refers to parent cpd. | ||
| helenalin | helenalin : A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). helenalin: toxic principle of Helenium microcephalum (smallhead sneezeweed); structure NF-kappaB inhibitor : An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
| 2,2,4-trimethyl-1,3-pentanediol diisobutyrate | 2,2,4-trimethyl-1,3-pentanediol diisobutyrate: plasticizer in food packing materials; RN given refers to parent cpd; RN in Chemline for Kodaflex: 35763-12-3; structure | diester | |
| ormetoprim | ormetoprim: proposed chemotherapeutic agent; minor descriptor (75-84); on-line & Index Medicus search PYRIMIDINES (75-84) | dimethoxybenzene | |
| benzeneseleninic acid | benzeneseleninic acid: structure given in first source | ||
| terodiline | diarylmethane | ||
| didecyldimethylammonium chloride | organic molecular entity | ||
| isoetharine mesylate | |||
| dimethyldodecylbenzylammonium | benzododecinium bromide : The organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties. | organic bromide salt; quaternary ammonium salt | antiseptic drug; disinfectant; surfactant |
| psoromic acid | psoromic acid: structure in first source | carbonyl compound | |
| zalcitabine | zalcitabine : A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase. Zalcitabine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy. | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
| 6-nitrochrysene | 6-nitrochrysene: RN given refers to cpd with locant for nitro group in position 6 | carbopolycyclic compound | |
| acetylglucosamine | Acetylglucosamine: The N-acetyl derivative of glucosamine. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre. | N-acetyl-D-glucosamine | epitope |
| 6-nitroindazole | |||
| tribenzylamine | tribenzylamine: isolated from Humulus lupulus; structure in first source | ||
| arylid | |||
| propionylpromazine hydrochloride | |||
| camptothecin | NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
| fenestrel | fenestrel: synonym ORF-4563 refers to Na salt; RN given refers to parent cpd | benzenes | |
| sodium pyrophosphate | sodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt. sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure | inorganic sodium salt | chelator; food emulsifier; food thickening agent |
| isopentenyladenosine | Isopentenyladenosine: N(6)-[delta(3)-isopentenyl]adenosine. Isopentenyl derivative of adenosine which is a member of the cytokinin family of plant growth regulators. N(6)-(Delta(2)-isopentenyl)adenosine : A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group. | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
| potassium dichromate | potassium dichromate : A potassium salt that is the dipotassium salt of dichromic acid. Potassium Dichromate: Chromic acid (H2Cr2O7), dipotassium salt. A compound having bright orange-red crystals and used in dyeing, staining, tanning leather, as bleach, oxidizer, depolarizer for dry cells, etc. Medically it has been used externally as an astringent, antiseptic, and caustic. When taken internally, it is a corrosive poison. | potassium salt | allergen; oxidising agent; sensitiser |
| phenmedipham | phenmedipham : A carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group. phenmedipham: minor descriptor (72-84); on-line search CARBAMATES (72-84); Index Medicus search HERBICIDES, CARBAMATE (75-84), CARBAMATES (72-75) | carbamate ester | environmental contaminant; herbicide; xenobiotic |
| indium trichloride | |||
| antimony trichloride | antimony trichloride : An inorganic chloride salt with formula SbCl3. It is used as a reagent for detecting vitamin A and related carotenoids, reacting with the carotenoid to form a blue complex that can be measured by colorimetry (the Carr-Price test). Solutions of antimony trichloride were formerly used for dissolving and removing horn stubs from calves and goats. | antimony molecular entity; inorganic chloride | apoptosis inducer; colorimetric reagent; Lewis acid |
| ancitabine | ancitabine : An organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action. Ancitabine: Congener of CYTARABINE that is metabolized to cytarabine and thereby maintains a more constant antineoplastic action. | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
| 2,2-dibromo-3-nitrilopropionamide | 2,2-dibromo-3-nitrilopropionamide: structure | ||
| dialifor | dialifor: insecticide | isoindoles | |
| stanozolol | stanozolol : An organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes. Stanozolol: A synthetic steroid that has anabolic and androgenic properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1194) | 17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol | anabolic agent; androgen |
| clodronic acid | clodronic acid : An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases. Clodronic Acid: A diphosphonate which affects calcium metabolism. It inhibits bone resorption and soft tissue calcification. | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
| carbendazim | carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
| 2,2'-dichlorobiphenyl | |||
| 1,6-hexanediol diacrylate | |||
| terbufos | organic thiophosphate; organosulfur compound; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide | |
| pyrithione zinc | zinc coordination entity | ||
| 3-carene | 3-carene: RN given refers to cpd without isomeric designation | monoterpene | |
| (1S,2R)-tranylcypromine | (1S,2R)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1S,2R)-enantiomer of tranylcypromine. | 2-phenylcyclopropan-1-amine | |
| diacerein | diacerein: chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase; | anthraquinone | |
| bisoxatin acetate | bisoxatin acetate: structure given in first source | organic molecular entity | |
| parbendazole | parbendazole: anthelmintic used against a variety of gastrointestinal parasites; minor descriptor (75-86); on-line & INDEX MEDICUS search BENZIMIDAZOLES; RN given refers to parent cpd | benzimidazoles; carbamate ester | |
| clioxanide | clioxanide: structure | ||
| 7-methyltryptamine | 7-methyltryptamine: RN given refers to parent cpd | ||
| selegiline | Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl. | selegiline; terminal acetylenic compound | geroprotector |
| selegiline hydrochloride, (r)-isomer | hydrochloride; terminal acetylenic compound | antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor | |
| clemastine | clemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness. | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
| devrinol | devrinol: structure N,N-diethyl-2-(naphthalen-1-yloxy)propanamide : A monocarboxylic acid amide that is propanamide substituted by two ethyl groups at the nitrogen atom and a naphthalen-1-yloxy group at position 2. napropamide : A racemate composed of equimolar amounts of (S)- and (R)-napropamide. | aromatic ether; monocarboxylic acid amide; naphthalenes | |
| 1-(2,6-dichlorophenyl)indolin-2-one | 1-(2,6-dichlorophenyl)indolin-2-one: structure in first source | ||
| fluorodifen | fluorodifen: structure | aromatic ether | |
| pizotyline | pizotifen : A benzocycloheptathiophene that is 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene 4-ylidene)-1-methylpiperidine which is joined from the 4 position to the 4 position of an N-methylpiperidine moiety by a double bond. It is a sedating antihistamine, with strong serotonin antagonist and weak antimuscarinic activity. It is generally used as the malate salt for the treatment of migraine and the prevention of headache attacks during cluster periods. Pizotyline: Serotonin antagonist used against MIGRAINE DISORDERS and vascular headaches. | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
| trimethylolpropane triacrylate | trimethylolpropane triacrylate: acrylate derivative found in ultraviolet curing inks; causes contact dermatitis | carbonyl compound | |
| 2,3-dihydroxyquinoxaline | 2,3-dihydroxyquinoxaline: fluorescent oxalic acid deriv. | ||
| 2,3,4-trichlorophenol | 2,3,4-trichlorophenol: structure in first source | ||
| 2,2',6,6'-tetrachlorobiphenyl | 2,2',6,6'-tetrachlorobiphenyl: structure in first source | ||
| iocetamic acid | iocetamic acid: was MH 1975-92 (see under IODOBENZENES 1975-90); use IODOBENZENES to search IOCETAMIC ACID 1975-92 | aromatic amide | |
| thenalidine | thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure | dialkylarylamine; tertiary amino compound | |
| tetradecanoylphorbol acetate | phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C. Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA. | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
| ornidazole | ornidazole : A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 3-chloro-2-hydroxypropyl and methyl groups, respectively. It is used in the treatment of susceptible protozoal infections and for the treatment of anaerobic bacterial infections. Ornidazole: A nitroimidazole antiprotozoal agent used in ameba and trichomonas infections. It is partially plasma-bound and also has radiation-sensitizing action. | C-nitro compound; imidazoles; organochlorine compound; secondary alcohol | antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope |
| 2,3-dihydroxypyridine | 2,3-dihydroxypyridine: affects thyroid function pyridine-2,3-diol : A dihydroxypyridine in which the two hydroxy groups are located at positions 2 and 3. | dihydroxypyridine | |
| fluoroboric acid | boron fluoride | ||
| edifenphos | edifenphos : An organic thiophosphate that is the O-ethyl-S,S-diphenyl ester of phosphorodithioic acid. Used to control a variety of fungal diseases on rice including blast, ear blight and stem rot. Edifenphos is moderately toxic to mammals and fish but poses more of a risk to aquatic invertebrates. edifenphos: structure | organic thiophosphate | antifungal agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin; phospholipid biosynthesis inhibitor |
| danazol | Danazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders. | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
| tomatine | alpha-tomatine: in tomato fruits and vegetative plant tissues; structure in first source | alkaloid antibiotic; glycoalkaloid; glycoside; steroid alkaloid; tetrasaccharide derivative | antifungal agent; immunological adjuvant; phytotoxin |
| 18-crown-6 | 18-crown-6 : A crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. | crown ether; saturated organic heteromonocyclic parent | phase-transfer catalyst |
| deslanoside | deslanoside : A cardenolide glycoside that is lanatoside C with the acetoxy group replaced by a hydroxy group. Deslanoside: Deacetyllanatoside C. A cardiotonic glycoside from the leaves of Digitalis lanata. | 12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
| metergoline | metergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7. Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy. | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
| clonixin | clonixin : A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a (2-methyl-3-chlorophenyl)amino group. Used (as its lysine salt) for treatment of renal colic, muscular pain and moderately severe migraine attacks. Clonixin: Anti-inflammatory analgesic. | aminopyridine; organochlorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent |
| n-(cyclohexylthio)phthalimide | N-(cyclohexylthio)phthalimide: water pollutant | ||
| benomyl | aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator | |
| tetraethylene glycol diacrylate | |||
| fenclozic acid | fenclozic acid: an analgesic & antipyretic with anti-inflammatory properties; minor descriptor (75-86); on-line & INDEX MEDICUS search THIAZOLES (75-86); RN given refers to parent cpd | ||
| lisuride | Lisuride: An ergot derivative that acts as an agonist at dopamine D2 receptors (DOPAMINE AGONISTS). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (SEROTONIN RECEPTOR AGONISTS). | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
| iodofenphos | organic thiophosphate | ||
| isopropyl 4,4'-dibromobenzilate | isopropyl 4,4'-dibromobenzilate: active substance in fumigant strips for mites | ||
| decoquinate | Decoquinate: A coccidiostat for poultry. | ||
| methabenzthiazuron | benzothiazoles | ||
| streptozocin | N-acylglucosamine; N-nitrosoureas | antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite | |
| oryzalin | oryzalin : A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group. oryzalin: a dinitroaniline; preemergence herbicide; structure | aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound | agrochemical; antimitotic; herbicide |
| oxadiazon | oxadiazon: manufactured by the Societe Rhone-poulenc, France; structure | aromatic ether | |
| cannabichromene | 1-benzopyran | ||
| daunorubicin | anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine. daunorubicin : A natural product found in Actinomadura roseola. Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS. | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
| razoxane | Razoxane: An antimitotic agent with immunosuppressive properties. | N-alkylpiperazine | |
| 2-(thiocyanomethylthio)benzothiazole | 2-(thiocyanomethylthio)benzothiazole: structure given in first source | ||
| leptophos | leptophos : A racemate comprising equimolar amounts of (R)- and (S)-leptophos. It is an organothiophosphate insecticide that shows neurotoxic effect in humans. Leptophos: An organothiophosphate insecticide. O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate : An organic phosphonate that is phenylphosphonothioic O,O-acid in which the hydroxy groups are substituted by methoxy and 4-bromo-2,5-dichlorophenoxy groups. | bromobenzenes; dichlorobenzene; organic phosphonate; phosphonic ester | |
| phosphotyrosine | O(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group. Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
| 2,4,5-trimethoxyphenylisopropylamine | 2,4,5-trimethoxyphenylisopropylamine: RN given refers to parent cpd; structure | ||
| lifibrate | lifibrate: hypolipemic, hypocholesteremic agent; minor descriptor (75-82); online & Index Medicus search GLYCOLATES (75-82) | ||
| fenamiphos | organophosphate insecticide; organophosphate nematicide; phosphoramidate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
| carbimazole | carbimazole : A member of the class of imidazoles that is methimazole in which the nitrogen bearing a hydrogen is converted into its ethoxycarbonyl derivative. A prodrug for methimazol, carbimazole is used for the treatment of hyperthyroidism. Carbimazole: An imidazole antithyroid agent. Carbimazole is metabolized to METHIMAZOLE, which is responsible for the antithyroid activity. | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
| 2-bromoergocryptine mesylate | methanesulfonate salt | antiparkinson drug | |
| bromocriptine | Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion. | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
| fenitrothion | fenitrothion : An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4. Fenitrothion: An organothiophosphate cholinesterase inhibitor that is used as an insecticide. | C-nitro compound; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
| cetalkonium chloride | cetalkonium chloride: Note: Bonjela is a multimeaning drug name. | ||
| 1,2-diphenylhydrazine | |||
| phenoxyethanol | 2-phenoxyethanol : An aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group. phenoxyethanol: structure | aromatic ether; glycol ether; primary alcohol | antiinfective agent; central nervous system depressant |
| cetylpyridinium chloride anhydrous | cetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent | chloride salt; organic chloride salt | antiseptic drug; surfactant |
| 4-chlorophenyl methyl sulfide | 4-chlorophenyl methyl sulfide: structure given in first source | ||
| 4-anisaldehyde | 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696 p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
| acetylacetone | acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. | beta-diketone | |
| paraldehyde | paraldehyde : A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. Paraldehyde: A hypnotic and sedative with anticonvulsant effects. However, because of the hazards associated with its administration, its tendency to react with plastic, and the risks associated with its deterioration, it has largely been superseded by other agents. It is still occasionally used to control status epilepticus resistant to conventional treatment. (From Martindale, The Extra Pharmacopoeia, 30th ed, p608-9) | trioxane | sedative |
| cetyldimethylethylammonium bromide | |||
| triamcinolone | triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections. Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739) | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
| oxyphenisatin | indoles | ||
| thymolphthalein | Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust. | terpene lactone | |
| tris(2,3-dibromopropyl)phosphate | tris(2,3-dibromopropyl)phosphate: flame retardant | trialkyl phosphate | |
| 2,4,7,9-tetramethyl-5-decyne-4,7-diol | 2,4,7,9-tetramethyl-5-decyne-4,7-diol: a non-ionic surfactant; structure in first source | ||
| ursodeoxycholic acid | ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones. Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic. | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| butylated hydroxytoluene | 2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
| 1,4-diaminoanthraquinone | |||
| pyrene | pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. pyrene: structure in Merck Index, 9th ed, #7746 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
| 2-methyl-1-nitroanthraquinone | anthraquinone | ||
| rafoxanide | Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | ||
| proquazone | proquazone: nonsteroid anti-inflammatory agent; structure | pyrimidines | |
| silybin | silibinin : A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. | aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite |
| benzonidazole | benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. benzonidazole: used in treatment of Chagas' disease | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
| halazepam | halazepam: structure | organic molecular entity | |
| butachlor | butachlor : An aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group. | aromatic amide; organochlorine compound; tertiary carboxamide | environmental contaminant; herbicide; xenobiotic |
| 4-methoxyamphetamine | 4-methoxyamphetamine: para-methoxy derivative to amphetamine with hallucinogenic properties; minor descriptor (75-86); on line & INDEX MEDICUS search AMPHETAMINES (75-86); RN given refers to parent compound without isomeric designation | ||
| N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furanyl)methanimine | C-nitro compound; furans | ||
| triazophos | triazophos: structure | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
| 1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine | N-alkylpiperazine; organic heterotricyclic compound | ||
| rose bengal b disodium salt | |||
| propamocarb | propamocarb : A carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species. propamocarb: RN given refers to parent cpd | carbamate ester; carbamate fungicide; tertiary amino compound | antifungal agrochemical; environmental contaminant; xenobiotic |
| clobetasol propionate | clobetasol propionate : The 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis. Clobetasol Propionate: This is the form in trademark preparations. | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid | anti-inflammatory drug |
| (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | anthracycline | ||
| l-amphetamine | (R)-amphetamine : A 1-phenylpropan-2-amine that has R configuration. | 1-phenylpropan-2-amine | |
| 2-hexyldecanoic acid | 2-hexyldecanoic acid: viscous oil | medium-chain fatty acid | |
| glutamic acid | glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM. | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
| dexchlorpheniramine | dexchlorpheniramine: RN given refers to parent cpd(S)-isomer | chlorphenamine | |
| cefazolin | cefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively. Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine. | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
| cambendazole | Cambendazole: A nematocide effective against a variety of gastrointestinal parasites in cattle, sheep, and horses. | ||
| frentizole | frentizole: RN given refers to parent cpd | ||
| 2-n-octyl-4-isothiazolin-3-one | octhilinone : A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. | 1,2-thiazoles | antibacterial agent; antifungal agrochemical; environmental contaminant; xenobiotic |
| halofenate | Halofenate: An antihyperlipoproteinemic agent and uricosuric agent. | ||
| lofepramine hydrochloride | hydrochloride | antidepressant | |
| timolol | (S)-timolol (anhydrous) : The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine. | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
| indoramin | Indoramin: An alpha-1 adrenergic antagonist that is commonly used as an antihypertensive agent. | tryptamines | |
| penfluridol | Penfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS. | diarylmethane | |
| tramadol | (R,R)-tramadol : A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. tramadol : A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia. Tramadol: A narcotic analgesic proposed for severe pain. It may be habituating. | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
| 5-hydroxynicotinic acid | aromatic carboxylic acid; pyridines | ||
| N-fluorenylacetamide | fluorenes | ||
| oxcarbazepine | oxcarbazepine : A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. Oxcarbazepine: A carbamazepine derivative that acts as a voltage-gated sodium channel blocker. It is used for the treatment of PARTIAL SEIZURES with or without secondary generalization. It is also an inducer of CYTOCHROME P-450 CYP3A4. | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
| toloxatone | 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one : A member of the class of oxazolidinones that is 5-(hydroxymethyl)-1,3-oxazolidin-2-one substituted by a 3-methylphenyl group at position 3. toloxatone : A racemate consisting of equimolar amounts of (R)- and (S)-toloxatone. It is a reversible monoamine oxidase A inhibitor and antidepressant. toloxatone: oxazolidinone derivative; psychotropic drug; structure | oxazolidinone; primary alcohol; toluenes | |
| s-adenosylmethionine | acylcarnitine: structure in first source S-adenosyl-L-methioninate : A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. | sulfonium betaine | human metabolite |
| dehydrocorydalin | dehydrocorydalin: alkaloid from Corydalis bulbuso D.C. used in therapy of peptic ulcer; RN given refers to parent cpd | alkaloid | |
| amineptin | amineptin: used in treatment of neuroses with psychoasthenic, anxio-phobic & depressive manifestations; synonym S 1694 refers to HCl; structure amineptine : A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne. | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
| zidovudine | zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia. | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
| feprazone | Feprazone: A pyrazole that has analgesic, anti-inflammatory, and antipyretic properties. It has been used in mild to moderate pain, fever, and inflammation associated with musculoskeletal and joint disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p15) | organic molecular entity | |
| levormeloxifene | levormeloxifene: RN refers to (trans)-isomer | ||
| 4-hydroxyphenylglycine, (s)-isomer | L-4-hydroxyphenylglycine : The L-enantiomer of 4-hydroxyphenylglycine. | 4-hydroxyphenylglycine | |
| pbde 99 | 2,4-dibromophenyl 2,4,5-tribromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines. | polybromodiphenyl ether | |
| procymidone | procymidone : An azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. | ||
| proroxan | proroxan: Russian drug; RN given refers to parent cpd; structure | ||
| paclitaxel | Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
| amitraz | amitraz : A tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5. amitraz: ixodicide (tick control); structure | formamidines; tertiary amino compound | acaricide; environmental contaminant; insecticide; xenobiotic |
| u 40481 | N'-(2,4-dimethylphenyl)-N-methylformamidine : A member of the class of formamidines that is N-methylimidoformamide in which the hydrogen attached to the nitrogen atom has been replaced by a 2,4-dimethylphenyl group. It is a metabolite of the insecticide amitraz. U 40481: RN given refers to parent cpd | benzenes; formamidines | marine xenobiotic metabolite |
| etoposide | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor | |
| propafenone hydrochloride | propafenone hydrochloride : A hydrochloride that is the monohydrochloride salt of propafenone. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used in the management of supraventricular and ventricular arrhythmias. | hydrochloride | anti-arrhythmia drug |
| promegestone | promegestone : A progestin consisting of 17beta-propionylestra-4,9-dien-3-one substituted at position 17 by a methyl group. Promegestone: A synthetic progestin which is useful for the study of progestin distribution and progestin tissue receptors, as it is not bound by transcortin and binds to progesterone receptors with a higher association constant than progesterone. | 20-oxo steroid; 3-oxo-Delta(4) steroid | antineoplastic agent; progesterone receptor agonist; progestin |
| dobutamine | dobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure. Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY. | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
| 5-methoxy-alpha-methyltryptamine | 5-methoxy-alpha-methyltryptamine: RN given refers to parent cpd without isomeric designation | tryptamines | |
| 2,4,5,2',4',5'-hexachlorobiphenyl | hexachlorobiphenyl | ||
| enilconazole | 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group. enilconazole : A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches. enilconazole: RN given refers to parent cpd | dichlorobenzene; ether; imidazoles | |
| wr 171,699 | |||
| halofantrine | halofantrine: used in treatment of mild to moderate acute malaria | phenanthrenes | |
| butaclamol | (+)-butaclamol : An organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups. | organic heteropentacyclic compound | |
| butaclamol | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist | |
| k 308 | K 308: structure | ||
| ribavirin | Rebetron: Rebetron is tradename | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| dichlormid | dichlormid: antidote for EPTC injury in corn; structure | tertiary carboxamide | |
| isovelleral | isovelleral: structure given in first source | aldehyde | |
| zinterol | |||
| 2,3,4,2',3',4'-hexachlorobiphenyl | |||
| aroclor 1016 | |||
| 10-carboxymethyl-9-acridanone | 10-carboxymethyl-9-acridanone: RN given refers to parent cpd | acridines | |
| carbidopa | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor | |
| cephradine | cephradine : A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton. Cephradine: A semi-synthetic cephalosporin antibiotic. | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
| pentafluorobenzoyl-n-phenylethylamine | |||
| 4-(4-chlorophenyl)-4-hydroxypiperidine | 4-(4'-chlorophenyl)-4-piperidinol: structure given in first source; N-dealkylated model of haloperidol | piperidines | |
| cyphenothrin | cyphenothrin: RN given refers to unlabeled cpd without isomeric designation | cyclopropanecarboxylate ester | agrochemical; pyrethroid ester insecticide |
| 3-phenoxybenzaldehyde | |||
| 5-Methoxyisatin | indoles | anticoronaviral agent | |
| perfosfamide | 4-hydroperoxycyclophosphamide : A phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. | nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide | alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite |
| 4-hexyloxyaniline | aromatic ether; substituted aniline | ||
| profenofos | monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
| methyldopa | alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring. Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent. | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
| ciclopirox olamine | ciclopirox olamine : The ethanolamine salt of ciclopirox. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections. | ||
| bezafibrate | aromatic ether; monocarboxylic acid; monocarboxylic acid amide; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic | |
| sq-11725 | nadolol : Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol. Nadolol: A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for MIGRAINE DISORDERS and for tremor. | ||
| diltiazem | diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions. | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
| flunixin meglumine | flunixin meglumine : An organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs. | organoammonium salt | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| bifenox | nitrobenzoic acid | ||
| 2-Acetyl-7-methoxybenzofuran | benzofurans | ||
| triadimefon | 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one : A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group. | aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles | |
| levobunolol | levobunolol : A cyclic ketone that is 3,4-dihydronaphthalen-1-one substituted at position 5 by a 3-(tert-butylamino)-2-hydroxypropoxy group (the S-enantiomer). A non-selective beta-adrenergic antagonist used (as its hydrochloride salt) for treatment of glaucoma. Levobunolol: The L-Isomer of bunolol. | aromatic ether; cyclic ketone; propanolamine | antiglaucoma drug; beta-adrenergic antagonist |
| 1-methyl-4-phenylpyridinium | 1-Methyl-4-phenylpyridinium: An active neurotoxic metabolite of 1-METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE. The compound reduces dopamine levels, inhibits the biosynthesis of catecholamines, depletes cardiac norepinephrine and inactivates tyrosine hydroxylase. These and other toxic effects lead to cessation of oxidative phosphorylation, ATP depletion, and cell death. The compound, which is related to PARAQUAT, has also been used as an herbicide. N-methyl-4-phenylpyridinium : A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position. | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
| nonachlazine | |||
| lonidamine | lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively. lonidamine: structure | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
| vinclozolin | 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione : A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group. vinclozolin : A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp. | dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone | |
| n-acetyl-4-benzoquinoneimine | N-acetyl-4-benzoquinoneimine: reactive arylating intermediate from acetaminophen & N-hydroxyacetaminophen; structure given in first source | ketoimine; quinone imine | |
| vecuronium | vecuronium : A 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents. | acetate ester; androstane; quaternary ammonium ion | drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist |
| dexibuprofen | dexibuprofen: structure in first source | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| dichlorfop-methyl | dichlorfop-methyl: structure; herbicide for control of wild oat & foxtails in cereal crops diclofop-methyl : A racemate composed of equimolar amounts of (R)- and (S)-diclofop-methyl. A proherbicide for diclofop, it is used for the control of wild oats and annual weeds in wheat, barley, rye and broad-leaved crops. methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate : A methyl ester resulting from the formal condensation of the carboxylic acid group of 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid with methanol. | aromatic ether; dichlorobenzene; diether; methyl ester | |
| thidiazuron | ureas | ||
| permethrin | hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
| exifone | benzophenones | ||
| quisqualic acid | Quisqualic Acid: An agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis. | non-proteinogenic alpha-amino acid | |
| decamethrin | decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
| Nanaomycin | benzoisochromanequinone | ||
| mefloquine | (-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown. | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
| oxfendazole | benzimidazoles; carbamate ester; sulfoxide | antinematodal drug | |
| desogestrel | Desogestrel: A synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents (ORAL CONTRACEPTIVES, COMBINED). | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
| meptazinol | Meptazinol: A narcotic antagonist with analgesic properties. It is used for the control of moderate to severe pain. | azepanes | |
| etofylline clofibrate | etofylline clofibrate: whole issue; structure given in first source | oxopurine | |
| nicardipine hydrochloride | dihydropyridine | geroprotector | |
| 3,3',5,5'-tetramethylbenzidine | T1023: radioprotective NO-Synthase Inhibitor | ||
| triadimenol | triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. | aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite |
| dibutylaminosulfenylcarbofuran | dibutylaminosulfenylcarbofuran: RN given refers to cpd with unspecified thio moieties | 1-benzofurans; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
| triclopyr | trichlopyr : A monocarboxylic acid that is (pyridin-2-yloxy)acetic acid substituted by chloro groups at positions 3, 5 and 6. It is an agrochemical used as a herbicide. | aromatic ether; chloropyridine; monocarboxylic acid | agrochemical; environmental contaminant; herbicide; xenobiotic |
| nitazoxanide | nitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug | benzamides; carboxylic ester | |
| sufentanil | sufentanil : An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid. Sufentanil: An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent. | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
| torsemide | torasemide : An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure. Torsemide: A pyridine and sulfonamide derivative that acts as a sodium-potassium chloride symporter inhibitor (loop diuretic). It is used for the treatment of EDEMA associated with CONGESTIVE HEART FAILURE; CHRONIC RENAL INSUFFICIENCY; and LIVER DISEASES. It is also used for the management of HYPERTENSION. | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
| epirubicin | Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA. | aminoglycoside; anthracycline; anthracycline antibiotic; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| furalaxyl | furalaxyl : A racemate comprising equal amounts of (R)- and (S)-furalaxyl. A systemic fungicide with protective and curative properties. It is effective against damping-off and root rot diseases caused by Pythium and Phytophthora fungi which inhabit the soil and infect many ornamental flowers, shrubs and trees. furalaxyl: Industrial Fungicide; structure in first source methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate : An alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate | alanine derivative; aromatic amide; carboxamide; furans; methyl ester | |
| closantel | closantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections. closantel: structure N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
| elliptinium | elliptinium: synthetic ellipticine deriv; RN given refers to parent cpd; structure given in first source | carbazoles | |
| dinaline | dinaline: structure given in first source | ||
| Flamprop | benzamides | ||
| idarubicin | Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA. | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
| laurocapram | laurocapram: enhances percutaneous absorption of different chemicals; structure given in first source | ||
| midazolam hydrochloride | midazolam hydrochloride : The hydrochloride salt of midazolam. | hydrochloride; imidazobenzodiazepine | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
| clorsulon | clorsulon: potent fasciolicide; structure | benzenes; sulfonamide | |
| propiconazole | Orbit: Bony cavity that holds the eyeball and its associated tissues and appendages. | conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
| Nitrothal-isopropyl | diester; isopropyl ester; nitrobenzoic acid | ||
| paroxetine | paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression. | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
| triciribine phosphate | |||
| captopril | captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin. | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| bopindolol | 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate : A methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group. bopindolol : A racemate comprising of equal amounts of (R)-bopindolol and (S)-bopindolol. It is a non-selective antagonist of beta1- and beta2-adrenoceptors and a prodrug in which the ester group is hydrolysed to form the corresponding hydroxy derivative. bopindolol: RN given refers to cpd without isomeric designation | aromatic ether; benzoate ester; methylindole; secondary amino compound | |
| progabide | progabide: GABA agonist; structure | diarylmethane | |
| cefoperazone | cefoperazone : A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance. Cefoperazone: Semisynthetic broad-spectrum cephalosporin with a tetrazolyl moiety that is resistant to beta-lactamase. It may be used to treat Pseudomonas infections. | cephalosporin | antibacterial drug |
| staurosporine | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector | |
| 7-methylbenzo(a)pyrene | |||
| bromethalin | C-nitro compound | ||
| indalpine | indalpine: selective 5-hydroxytryptamine uptake inhibitor; RN given refers to parent cpd | indoles | |
| fenpropathrin, (+-)-isomer | fenpropathrin : A cyclopropanecarboxylate ester obtained by formal condensation between 2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. fenpropathrin: RN given refers to cpd without isomeric designation | aromatic ether; cyclopropanecarboxylate ester | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
| butoconazole nitrate | butoconazole nitrate : An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
| lidamidine | lidamidine: synonym WHR-1142A refers to HCl; structure | ureas | |
| naftifine | naftifine : A tertiary amine in which the nitrogen is substituted by methyl, alpha-naphthylmethyl, and (1E)-cinnamyl groups. It is used (usually as its hydrochloride salt) for the treatment of fungal skin infections. naftifine: allylamine der; RN given refers to unlabeled parent cpd | allylamine antifungal drug; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor |
| pergolide | pergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES. | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
| flutolanil | flutolanil : A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-(trifluoromethyl)benzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control a range of pathogens especially Rhizoctonia spp. on rice, turf and other crops. | (trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| colforsin | Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
| bicifadine | bicifadine: a nonopioid analgesic that modulates the monoaminergic pathways involved in pain | ||
| cefadroxil anhydrous | cefadroxil : A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. Cefadroxil: Long-acting, broad-spectrum, water-soluble, CEPHALEXIN derivative. | cephalosporin | antibacterial drug |
| fluperlapine | fluperlapine: structure given in first source | benzazepine | |
| triclabendazole | aromatic ether | ||
| carbizocaine | |||
| tiotidine | tiotidine: UD gives slightly different structure for this cpd; RN given refers to parent cpd; structure in first source | thiazoles | |
| fialuridine | |||
| buprofezin | (E)-buprofezin : A 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has E configuration. buprofezin : A 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has Z configuration. buprofezin: tradename - Applaud; used for the control of homopterous insect pests; structure given in first source | thiadiazinane; ureas | |
| sulbactam pivoxyl | |||
| fluvalinate | fluvalinate: RN given refers to 2-cyano isomer (DL)-isomer | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
| haloxyfop | 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid : A monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. haloxyfop : A racemate comprising equimolar amounts of haloxyfop-P (the more active, R enantiomer) and (S)-haloxyfop (the less active enantiomer). A post-emergence herbicide used to control annual and perennial grass weeds. Commercial use of the racemate was phased out in favour of the most active enantiomer, used as the proherbicide esters haloxyfop-P-methyl and haloxyfop-P-etotyl. haloxyfop: RN given refers to parent cpd | aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines | |
| doxofylline | doxofylline : An oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma. | oxopurine | anti-asthmatic drug; antitussive; bronchodilator agent |
| bucindolol | bucindolol: an indolyl-tert-butyl-phenoxypropanolamine benzonitrile derivative | ||
| mitoxantrone hydrochloride | hydrochloride | antineoplastic agent | |
| daurisoline | daurisoline: antiarrhythmic from Menispermun dahuricum; structure in first source | isoquinolines | |
| flurofamide | flurofamide: structure given in first source | carbonyl compound; organohalogen compound | |
| benalaxyl | benalaxyl : A racemate comprising equal amounts of (R)- and (S)-benalaxyl. benalaxyl: RN given refers to (DL)-isomer; structure given in first source methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate : An alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate | alanine derivative; aromatic amide; carboxamide; methyl ester | |
| fenoxycarb | fenoxycarb : A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine. fenoxycarb: used against mosquitoes (Diptera:Culicidae); structure given in first source | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
| haloperidol decanoate | organic molecular entity | ||
| cefotetan | cefotetan : A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. Cefotetan: A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms. | ||
| lovastatin | lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver. | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
| flupirtine | flupirtine: RN given refers to parent cpd without isomeric designation | aminopyridine | |
| chaetochromin | chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | ||
| rimcazole dihydrochloride, (cis)-isomer | |||
| quizalofop-ethyl | ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate : An ethyl ester resulting from the formal condensation of the carboxy group of 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid with ethanol. quizalofop-ethyl : A racemate coprising equimolar amounts of quizalofop-P-ethyl and its enantiomer, (S)-quizalofop-ethyl. A proherbicide for quizalofop. quizalofop-ethyl: RN given refers to parent cpd | aromatic ether; ethyl ester; organochlorine compound; quinoxaline derivative | |
| 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone | 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone: structure given in first source | butenolide | |
| loceryl | amorolfine : A member of the class of morpholines that is cis-2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a racemic 2-methyl-3-[p-(2-methylbutan-2-yl)phenyl]propyl group. An inhibitor of the action of squalene monooxygenase, Delta(14) reductase and D7-D8 isomerase and an antifungal agent, it is used (generally as its hydrochloride salt) for the topical treatment of fungal nail and skin infections. amorolfine: RN given refers to parent cpd | morpholine antifungal drug; tertiary amino compound | EC 1.14.13.132 (squalene monooxygenase) inhibitor; EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
| azelastine hydrochloride | azelastine hydrochloride : The hydrochloride salt of azelastine. | hydrochloride | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
| piritrexim | piritrexim: RN given refers to parent cpd; structure given in first source | ||
| levocabastine hydrochloride | |||
| castanospermine | castanospermine : A tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer). castanospermine: indolizidine alkaloid from seeds of Australian legume, Castanospermum australe | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
| simvastatin | simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug. Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL. | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
| idazoxan | idazoxan : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group. Idazoxan: A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity. | benzodioxine; imidazolines | alpha-adrenergic antagonist |
| remoxipride | Remoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia. | dimethoxybenzene | |
| quinpirole | quinpirole : A pyrazoloquinoline that is (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist. Quinpirole: A dopamine D2/D3 receptor agonist. | pyrazoloquinoline | dopamine agonist |
| pravastatin | pravastatin : A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. Pravastatin: An antilipemic fungal metabolite isolated from cultures of Nocardia autotrophica. It acts as a competitive inhibitor of HMG CoA reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES). | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
| fluroxypyr methylheptyl ester | fluroxypyr methylheptyl ester: XRM-5084 is made up of 34.9% fluroxypyr methylheptyl ester and 65.1% proprietary emulsifier; used for the control of broadleaf vegetation | ||
| cabergoline | cabergoline : An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. Cabergoline: An ergoline derivative and dopamine D2-agonist that inhibits PROLACTIN secretion. It is used in the management of HYPERPROLACTINEMIA, and to suppress lactation following childbirth for medical reasons. Cabergoline is also used in the management of PARKINSON DISEASE. | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
| bambuterol | bambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline. bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
| atomoxetine hydrochloride | atomoxetine hydrochloride : The hydrochloride salt of atomoxetine. Atomoxetine Hydrochloride: A propylamine derivative and selective ADRENERGIC UPTAKE INHIBITOR that is used in the treatment of ATTENTION DEFICIT HYPERACTIVITY DISORDER. | hydrochloride | adrenergic uptake inhibitor; antidepressant |
| atomoxetine | atomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
| quinapril | quinapril : A member of the class of isoquinolines that is (3S)-2-L-alanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid in which the alpha-amino group of the alanyl residue has been substituted by a 1-ethoxycarbonyl-4-phenylbutan-2-yl group (the all-S isomer). A prodrug for quinaprilat (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) used (generally as the hydrochloride salt) for the treatment of hypertension and congestive heart failure. Quinapril: A tetrahydroisoquinoline derivative and ANGIOTENSIN CONVERTING ENZYME inhibitor that is used in the treatment of HYPERTENSION and HEART FAILURE. | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
| alpidem | imidazoles | ||
| raloxifene hydrochloride | raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride. Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue. | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| nefazodone hydrochloride | hydrochloride | ||
| 5-benzylacyclouridine | 5-benzyl-1-(2-hydroxyethoxymethyl)uracil : A pyrimidone that is uracil which is substituted by a 2-hydroxyethoxymethyl group at position 1 and a benzyl group at position 5. 5-benzylacyclouridine: structure given in first source | hydroxyether; primary alcohol; pyrimidone | |
| gepirone | gepirone: RN given refers to parent cpd; structure given in first source | N-arylpiperazine | |
| mifepristone | Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME. | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
| itraconazole | itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis. Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis. | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
| pinacidil | organic molecular entity | ||
| quinpirole hydrochloride | |||
| preclamol | piperidines | ||
| 2-demethylthiocolchicine | 2-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85 | ||
| 3-deazaguanine | 3-deazaguanine: structure | ||
| flestolol | flestolol: short-acting beta blockader | ||
| (S)-nomifensine | (S)-nomifensine : The S enantiomer of nomifensine. | nomifensine | |
| ractopamine | 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol : A secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group. ractopamine : A diastereoisomeric mixture of approximately equal amounts of all four possible diastereoisomers of 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol. A beta-adrenergic agonist, it is used (generally as the hydrochloride salt) as a feed additive for use in pigs and other livestock to promote protein deposition, resulting in leaner meat. The R,R diastereoisomer, butopamine, is responsible for most of the leanness-enhancing effects. While use of ractopamine has been banned in over 120 countries including throughout the EU, in the US it used in an estimated 80% of all beef, pork and turkey production. ractopamine: veterinary growth stimulant | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
| nitrogenase stabilizing-protective protein, bacteria | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | androgen antagonist; antineoplastic agent | |
| pravadoline | |||
| tzu 0460 | TZU 0460: RN given refers to HCl; structure given in first source | piperidines | |
| salmeterol xinafoate | Salmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE. | naphthoic acid | |
| ranolazine | N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide : An aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline. ranolazine : A racemate comprising equal amounts of (R)- and (S)-ranolazine. Used for treatment of chronic angina. Ranolazine: An acetanilide and piperazine derivative that functions as a SODIUM CHANNEL BLOCKER and prevents the release of enzymes during MYOCARDIAL ISCHEMIA. It is used in the treatment of ANGINA PECTORIS. | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
| ipsapirone | N-arylpiperazine | ||
| quinelorane | quinelorane: LY 175887 is dextrorotary isomer; LY 137157 is a racemic mixture | quinazolines | |
| eticlopride | eticlopride: blocks dopamine-D2 binding sites; structure given in first source; RN given refers to (S)-isomer | salicylamides | |
| imiquimod | imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis. Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS. | imidazoquinoline | antineoplastic agent; interferon inducer |
| mk 458 | MK 458: a sustained release formulation of a naphthoxazine compoud with selective D-2 dopamine receptor agonism naxagolide hydrochloride : The hydrochloride salt of naxagolide. | hydrochloride | anticonvulsant; antiparkinson drug; dopamine agonist |
| naxagolide | naxagolide : An organic heterotricyclic compound that is (4aR,10bR)-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine substituted by propyl and hydroxy groups at positions 4 and 9, respectively. It is a potent dopamine D2-receptor agonist and its hydrochloride salt was under clinical development by Merck & Co as a potential antiparkinsonian agent (now discontinued). naxagolide: structure given in first source | organic heterotricyclic compound; phenols; tertiary amino compound | anticonvulsant; antiparkinson drug; dopamine agonist |
| sematilide | sematilide: RN refers to HCl; structure given in first source | ||
| n 0437, (-)-isomer | rotigotine: Antiparkinson Agent and dopamine receptor agonist; structure given in first source; RN given refers to cpd without isomeric designation | tetralins | |
| sertindole | sertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group. | heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole | alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist |
| adapalene | adapalene : A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. Adapalene: A naphthalene derivative that has specificity for RETINOIC ACID RECEPTORS. It is used as a DERMATOLOGIC AGENT for the treatment of ACNE. | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
| adefovir | adefovir : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. adefovir: inhibitor of African swine fever virus adefovir(1-) : A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
| sparfloxacin | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | ||
| zileuton | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug | |
| amlodipine besylate | amlodipine benzenesulfonate : The benzenesulfonate salt of amlodipine. | organosulfonate salt | antihypertensive agent; calcium channel blocker; vasodilator agent |
| pioglitazone hydrochloride | aromatic ether | ||
| niguldipine | diarylmethane | ||
| clopidogrel | clopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks. Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION. | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
| cidofovir anhydrous | cidofovir anhydrous : Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. Cidofovir: An acyclic nucleoside phosphonate that acts as a competitive inhibitor of viral DNA polymerases. It is used in the treatment of RETINITIS caused by CYTOMEGALOVIRUS INFECTIONS and may also be useful for treating HERPESVIRUS INFECTIONS. | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
| tiagabine | tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES. | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
| (S)-betaxolol | (S)-betaxolol : The (S)-enantiomer of betaxolol. | betaxolol | |
| mibefradil dihydrochloride | |||
| mibefradil | Mibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE. | tetralins | T-type calcium channel blocker |
| topotecan hydrochloride | |||
| topotecan | topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks. Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I. | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| eliprodil | 1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4. | monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound | |
| tenidap | tenidap: structure given in first source; RN refers to (Z)-isomer | ||
| gemcitabine hydrochloride | hydrochloride; organofluorine compound | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent | |
| gemcitabine | gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
| temoporfin | temoporfin: used as PHOTOCHEMOTHERAPY | ||
| ibutilide | ibutilide: RN & structure in first source; RN refers to the fumarate salt | benzenes; organic amino compound | |
| fananserin | fananserin: RN & structure given in first source | naphthalenes; sulfonic acid derivative | |
| aripiprazole | aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression. | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
| monatepil | monatepil: structure in first source; RN refers to 1:1 maleate salt (AJ 2615) | dibenzothiepine | |
| atorvastatin calcium anhydrous | organic calcium salt | ||
| atorvastatin | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic | |
| lamivudine | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug | |
| duloxetine hydrochloride | (S)-duloxetine hydrochloride : A duloxetine hydrochloride in which the duloxetine moiety has S configuration. Duloxetine Hydrochloride: A thiophene derivative and selective NEUROTRANSMITTER UPTAKE INHIBITOR for SEROTONIN and NORADRENALINE (SNRI). It is an ANTIDEPRESSIVE AGENT and ANXIOLYTIC, and is also used for the treatment of pain in patients with DIABETES MELLITUS and FIBROMYALGIA. | duloxetine hydrochloride | antidepressant |
| duloxetine | duloxetine | ||
| irinotecan | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug | |
| aptiganel | aptiganel: NMDA receptor antagonist used to study the effects of stroke; structure given in first source; RN given refers to hydrochloride | naphthalenes | |
| ibandronic acid | Ibandronic Acid: Aminobisphosphonate that is a potent inhibitor of BONE RESORPTION. It is used in the treatment of HYPERCALCEMIA associated with malignancy, for the prevention of fracture and bone complications in patients with breast cancer and bone metastases, and for the treatment and prevention of POSTMENOPAUSAL OSTEOPOROSIS. | ||
| ziprasidone | ziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms. ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
| adefovir dipivoxil | adefovir pivoxil : An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection. bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine: structure given in first source | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
| emtricitabine | emtricitabine : An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection. Emtricitabine: A deoxycytidine analog and REVERSE TRANSCRIPTASE INHIBITOR with antiviral activity against HIV-1 and HEPATITIS B viruses. It is used to treat HIV INFECTIONS. | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
| mifobate | mifobate: has antiatherosclerotic properties | trialkyl phosphate | |
| mk 0591 | MK 0591: structure given in first source; MK 0591 was previously L-686,708; inhibits leukotriene biosynthesis by inhibiting 5-lipoxygenase activating protein | ||
| saquinavir monomethanesulfonate | organic molecular entity | ||
| tiludronic acid | tiludronic acid: a bone resorption inhibitor; an antihypercalcemic agent; used in the tratment of Paget's disease; used in the treatment and prevention of osteoporosis; structure given in first source | organochlorine compound | |
| tirofiban | tirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group. Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME. | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
| xemilofiban | xemilofiban: SC-54684A was administered as the hydrochloride salt; inhibits platelet glycoprotein GPIIB IIIA receptor; structure given in first source | ||
| adenosine | quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
| Phenylmethyl benzeneacetate | carboxylic ester | ||
| 4-(4-Methoxyphenyl)-2-butanone | methoxybenzenes | ||
| 3-morpholinopropylamine | 3-morpholinopropylamine : A member of the class of morpholines that is morpholine substituted by a 3-aminopropyl group a the N atom. | morpholines; primary amino compound | |
| phenelzine sulfate | organic molecular entity | ||
| 3-methyl-1,2-cyclopentanedione | 3-methyl-1,2-cyclopentanedione: a peroxynitrite scavenger isolated from coffee extract; structure in first source | cyclic ketone | |
| octyl gallate | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite | |
| propyltrimethoxysilane | |||
| sudan black b | Sudan black B : A member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. | azobenzenes; bis(azo) compound; perimidines | histological dye |
| coomassie brilliant blue r | kenacid blue: RN given refers to cpd with unknown MF | ||
| acetyl tert-butyl dimethylindan | acetyl tert-butyl dimethylindan: musk fragrance; structure given in first source | indanes | |
| 1,2-dibromo-2,4-dicyanobutane | 1,2-dibromo-2,4-dicyanobutane: biocide used in glue implicated in contact dermatitis; euxyl K 400 is a 2-phenoxyethanol mixture 2-bromo-2-(bromomethyl)pentanedinitrile : An organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2. | aliphatic nitrile; organobromine compound | allergen; sensitiser |
| 2,5-dimethoxy-4-bromoamphetamine | 2,5-dimethoxy-4-bromoamphetamine: RN given refers to (alpha)-isomer; a serotonin agonist that interferes with Meth A tumor growth in mice by selective vasoconstrictive action | ||
| 3-iodo-2-propynylbutylcarbamate | 3-iodo-2-propynylbutylcarbamate: RN & structure given in first source 3-iodoprop-2-yn-1-yl butylcarbamate : A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products. | acetylenic compound; carbamate ester; carbamate fungicide; organoiodine compound | antifungal agrochemical; environmental contaminant; xenobiotic |
| benoxacor | benoxacor: a herbicide safener that protects corn from injury by metachlor | benzoxazine | |
| musk xylene | musk xylene : A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5. | C-nitro compound | carcinogenic agent; explosive; fragrance |
| scarlet red | Scarlet Red: structure Sudan IV : A bis(azo) compound that is 2-naphthol substituted at position 1 by a {2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. | azobenzenes; bis(azo) compound; naphthols | carcinogenic agent; fluorochrome; histological dye |
| acridine orange | acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination. Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms. | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
| glycoluril | glycoluril: a compound made of two 2-imidazolidinone fused at the 4 and 5 positions | azabicycloalkane; ureas | |
| iberverin | |||
| benzylaminopurine | benzylaminopurine: a plant growth regulator N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 6-aminopurines | cytokinin; plant metabolite |
| 1-(1-phenylcyclohexyl)pyrrolidine | 1-(1-phenylcyclohexyl)pyrrolidine: pyrrolidine analog of phencyclidine; RN given refers to parent cpd; structure rolicyclidine : Pyrrolidine in which the hydrogen attached to the nitrogen is substituted by a 1-phenylcyclohex-1-yl group. | pyrrolidines; tertiary amine | general anaesthetic; hallucinogen; NMDA receptor antagonist |
| 1-lauryl-2-pyrrolidone | 1-dodecylpyrrolidin-2-one : Pyrrolidin-2-one substituted at nitrogen by an n-dodecyl group. | pyrrolidin-2-ones | epitope |
| 4-ethylguaiacol | 4-ethylguaiacol: a constituent of wood creosote; suppresses intestinal smooth muscle contraction | methoxybenzenes; phenols | |
| n-methyl-3-piperidyl benzilate | N-methyl-3-piperidyl benzilate: RN given refers to parent cpd | ||
| tinuvin | |||
| pentaerythritol tetraacrylate | |||
| dioctyldimethyl ammonium chloride | quaternary ammonium salt | ||
| sodium persulfate | sodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt | ||
| daunorubicin hydrochloride | anthracycline | ||
| 2,5-dimethoxyamphetamine | 2,5-dimethoxyamphetamine: RN given refers to parent cpd without isomeric designation | ||
| fluoxetine hydrochloride | fluoxetine hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine hydrochloride. A selective serotonin reuptake inhibitor (SSRI), it is used for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. | hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
| paroxetine hydrochloride | paroxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug. | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
| propranolol hydrochloride | Inderex: combination of above cpds; used in treatment of hypertension | hydrochloride | |
| bupropion hydrochloride | aromatic ketone | ||
| venlafaxine hydrochloride | Venlafaxine Hydrochloride: A cyclohexanol and phenylethylamine derivative that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR (SNRI) and is used as an ANTIDEPRESSIVE AGENT. | hydrochloride | |
| trovan | trovafloxacin mesylate : A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. | ||
| verapamil hydrochloride | verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride. | ||
| sertraline hydrochloride | sertraline hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. | hydrochloride | antidepressant; serotonin uptake inhibitor |
| dexamethasone 17-valerate | dexamethasone 17-valerate: RN given refers to (11beta,16alpha)-isomer; structure | 21-hydroxy steroid | |
| 1,1-bis(4-hydroxyphenyl)-2-phenylbut-1-ene | 1,1-bis(4-hydroxyphenyl)-2-phenylbut-1-ene: structure given in first source | ||
| 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | stilbenoid | ||
| carmoterol | carmoterol: CHF4226.01 and CHF4232.01 are diastereoisomers; structure in first source | ||
| 2,4(1h,3h)-quinazolinedione | 2,4(1H,3H)-quinazolinedione: structure given in first source | ||
| efavirenz | efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. efavirenz: HIV-1 reverse transcriptase inhibitor | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
| nelfinavir | nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
| rolofylline | rolofylline: selective antagonist for adenosine receptors; a cardiovascular agent | oxopurine | |
| amodiaquine hydrochloride | hydrochloride | anticoronaviral agent | |
| glucose, (beta-d)-isomer | (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages. beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre. | D-glucopyranose | epitope; mouse metabolite |
| meclizine monohydrochloride | |||
| mevastatin | mevastatin : A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. mevastatin: antifungal metabolite from Penicillium brevicopactum; potent inhibitory activity to sterol synthesis; structure | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite |
| bupivacaine hydrochloride | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride : A hydrochloride obtained by combining 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide with one molar equivalent of hydrochloric acid. bupivacaine hydrochloride (anhydrous) : A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride and levobupivacaine hydrochloride. The monohydrate form is commonly used as a local anaesthetic. | hydrochloride; racemate | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
| alfentanil hydrochloride | |||
| denatonium saccharide | denatonium saccharide: white powder with an extremely bitter taste | ||
| bourgeonal | |||
| fenofibric acid | fenofibric acid : A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. fenofibric acid: RN given refers to parent cpd without isomeric designation; structure | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
| ursolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite | |
| n-methylnicotinamide | N-methylnicotinamide : A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. N-methylnicotinamide: structure | pyridinecarboxamide | metabolite |
| norharman | beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. norharman: RN given refers to parent cpd | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
| betulinic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite | |
| baicalin | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug | |
| nsc 624231 | 2'-nitrophenylphenylsulfone: inhibits HIV-1 reverse transcriptase; structure given in first source | ||
| plerixafor | plerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma. plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
| amprenavir | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor | |
| allicin | botanical anti-fungal agent; sulfoxide | antibacterial agent | |
| thionine | thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS. thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride; | ||
| thymine arabinoside | thymine arabinoside: selectively inhibits replication of herpes simplex virus | N-glycosyl compound | |
| 4-hydroxybenzamide | |||
| diphenylcyclopropenone | diphenylcyclopropenone : A cyclopropenone compound having phenyl substituents at the 2- and 3-positions. diphenylcyclopropenone: strong contact sensitizer; a photosensitizing agent; RN given refers to parent cpd; structure given in first source | cyclopropenone | drug allergen; hapten; photosensitizing agent |
| epigallocatechin gallate | (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis) | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
| alpha-terthienyl | terthiophene | ||
| gallocatechol | (+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas. gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii. gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases | gallocatechin | antioxidant; metabolite; radical scavenger |
| isoguanosine | purine nucleoside | ||
| 2,4-diaminoquinazoline | |||
| 2,2'-dipyridyl disulfide | 2,2'-dipyridyl disulfide: disulfide is an important moiety in this cpd aldrithiol : A member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols. | organic disulfide; pyridines | oxidising agent |
| 25-hydroxycholesterol | 25-hydroxy steroid; oxysterol | human metabolite | |
| aica ribonucleotide | AICA ribonucleotide : A 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative. AICA ribonucleotide: purine precursor that has antineoplastic activity | 1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole | cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| 6-azacytidine | 6-azacytidine: MH AZACITIDINE refers to 5-azacytidine | ||
| salvin | salvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae) | abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid | angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite |
| hexamidine | hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
| 2',3'-didehydro-2',3'-dideoxyuridine | |||
| 1-beta-d-arabinofuranosylcytosine 5'-monophosphate | 1-beta-D-arabinofuranosylcytosine 5'-monophosphate: RN given refers to dihydrogen phosphate | ||
| xanthyletine | xanthyletine: structure | coumarins | |
| neocuproine | neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9. neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd | phenanthrolines | chelator; copper chelator |
| 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
| o-(6)-methylguanine | 6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent. O-(6)-methylguanine: structure | methylguanine | mutagen |
| mefloquine hydrochloride | hydrochloride | ||
| dopamine hydrochloride | P 498: structure in first source; do not confuse with dopamine chloride, also known as P 498 | catecholamine | |
| proadifen hydrochloride | |||
| pralidoxime iodide | organic iodide salt; pyridinium salt | cholinergic drug; cholinesterase reactivator | |
| epirubicin hydrochloride | |||
| pyrrolidine dithiocarbamate | pyrrolidine dithiocarbamate : A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine. pyrrolidine dithiocarbamic acid: spelled pyrolidine in J Nutr 1979 reference; RN given refers to parent cpd | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
| 3'-azido-3'-deoxythymidine 5'phosphate | 3'-azido-3'-deoxythymidine 5'phosphate: inhibits thymidylate kinase | ||
| triciribine | nucleoside analogue | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| narasin | diterpene glycoside | ||
| sinefungin | adenosines; non-proteinogenic alpha-amino acid | antifungal agent; antimicrobial agent | |
| meptazinol hydrochloride | |||
| halopemide | halopemide: structure | ||
| sulconazole, mononitrate, (+-)-isomer | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | ||
| tetraiodothyroacetic acid | 3,3',5,5'-tetraiodothyroacetic acid : A monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'. tetraiodothyroacetic acid: RN given refers to parent cpd; structure | 2-halophenol; aromatic ether; iodophenol; monocarboxylic acid | apoptosis inducer; human metabolite; thyroid hormone |
| prenylamine lactate | prenylamine lactate: prenylamine compounded with lactic acid; not a salt | ||
| cedrol | cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer | cedrane sesquiterpenoid; tertiary alcohol | |
| quifenadine | quifenadine: Russian drug | diarylmethane | |
| bendamustine | benzimidazoles | ||
| zatebradine | benzazepine | ||
| litoxetine | litoxetine: a serotonin uptake inhibitor | ||
| fluazuron | fluazuron : An N-acylurea that is urea in which one of the hydrogens has been replaced by a 3,6-difluorobenzoyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl group. It is used to control ticks in cattle. fluazuron: a benzoyl phenylurea compound; ACATAK (tradename) is a pour-on tick development inhibitor containing fluazuron as its active ingredient | aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas | acaricide; mite growth regulator |
| caroverine | caroverine: structure | quinoxaline derivative | |
| metrifudil | |||
| geneserine | geneserine: structure given in first source | indoles | |
| rutecarpine | rutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsules | beta-carbolines | |
| bumecain | bumecain: RN given refers to parent cpd; structure | ||
| indocate | |||
| fotrin | fotrin: ethyleneamine derivative; antineoplastic; Russian drug; structure | ||
| tedisamil | tedisamil : A member of the class of diazabicyclononanes that is (1s,5s)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane] in which the hydrogens at positions 3 and 7 are replaced by cyclopropylmethyl groups. It is a potassium channel blocker and an antiarrhythmic agent currently currently in development for the treatment of atrial fibrillation. | ||
| milnacipran | Milnacipran: A cyclopropanecarboxamide serotonin and norepinephrine reuptake inhibitor (SNRI) that is used in the treatment of FIBROMYALGIA. | acetamides | |
| anpirtoline | anpirtoline: structure given in first source | aryl sulfide | |
| esreboxetine | esreboxetine: a norepinephrine reuptake inhibitor | aromatic ether | |
| kb 3022 | KB 3022: structure given in first source | ||
| physostigmine heptyl | physostigmine heptyl: RN given for (3aS-cis)-isomer; structure given in first source; possible use in therapy of Alzheimer's disease | ||
| web 2086 | WEB 2086: structure given in first source; PAF antagonist | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| mizolastine | benzimidazoles | ||
| cgs 9343b | benzimidazoles | ||
| abecarnil | |||
| terikalant | terikalant: experimental class II antiarrhythmic drug; RN gioven refers to terikalant ((S-(-))-isomer) | piperidines | |
| azelnidipine | azelnidipine: structure given in first source | isopropyl ester | |
| npk 1886 | NPK 1886: RN given from Toxline; RN not in Chemline 6/86 | dihydropyridine; isopropyl ester; methyl ester | |
| repaglinide | piperidines | ||
| lerisetron | |||
| telmisartan | telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension. Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION. | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
| thioridazine hydrochloride | hydrochloride | first generation antipsychotic; geroprotector | |
| trifluoperazine hydrochloride | hydrochloride | ||
| bergenin | bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure | trihydroxybenzoic acid | metabolite |
| armin | Armin: A reversible organophosphorus cholinesterase inhibitor. It also affects the presynaptic membrane and inhibits membrane postsynaptic cholinergic receptors. The compound had former use as a miotic. | organic phosphonate; phosphonic ester | |
| siquil | hydrochloride | anticoronaviral agent | |
| mepivacaine hydrochloride | mepivacaine hydrochloride : The hydrochloride salt of mepivacaine. It is used as a local anaesthetic. | hydrochloride; piperidinecarboxamide | local anaesthetic |
| bisphenol b | bisphenol | ||
| sotalol hydrochloride | sotalol hydrochloride : A hydrochloride salt that is the monohydrochloride of sotalol. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias. | hydrochloride | anti-arrhythmia drug; beta-adrenergic antagonist |
| dexfenfluramine hydrochloride | fenfluramine hydrochloride | appetite depressant; serotonergic agonist; serotonin uptake inhibitor | |
| 2-methoxyestradiol | 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
| 17 beta-estradiol hemisuccinate | |||
| hexaconazole | 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol : A member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups. hexaconazole : A racemate comprising equimolar amounts of (R)- and (S)-hexaconazole. An agricultural fungicide introduced in the 1980s, it is not approved for use within the European Union. | dichlorobenzene; tertiary alcohol; triazoles | chelator |
| naphthalimides | Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS. | ||
| 3'-cmp | 3'-CMP : A cytidine 3'-phosphate compound with a monophosphate group at the 3'-position. | cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
| toxoflavin | toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. toxoflavin: azapteridine antibiotic; structure | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
| xanthoxyletin | xanthoxyletin: structure in first source | coumarins | metabolite |
| 4-phenylbenzoic acid | 4-phenylbenzoic acid: RN given refers to 4-carboxylic cpd | ||
| thionalide | thionalide: complexes with methylmercury cpds; transports these cpds from liver to bile | ||
| moskene | moskene: causes allergic photocontact dermatitis; structure given in first source | ||
| 9,10-anthraquinone 2-carboxylic acid | 9,10-anthraquinone 2-carboxylic acid: structure in first source | ||
| parabanic acid | parabanic acid : An imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5. parabanic acid: structure | hydracid; imidazolidinone | human metabolite |
| 5,5'-methylenedisalicylic acid | 5,5'-methylenedisalicylic acid: inhibits attachment of ribosomes to microsomal membranes; RN given refers to parent cpd; structure in first source & Merck Index, 9th ed, #5934 | ||
| caramiphen | |||
| Diphenolic acid | diphenolic acid: an estrogenic ligand | bisphenol | |
| 4-fluorobenzylamine | |||
| musk tibetine | musk tibetine: in contrast to other musk cpds this cpd does not cause allergic photocontact dermatitis; structure given in first source | ||
| 3-methyl-n,n-diethyl-p-phenylenediamine | 3-methyl-N,N-diethyl-p-phenylenediamine: RN given refers to parent cpd; structure | ||
| 1,7-dioxaspiro(5.5)undecane | 1,7-dioxaspiro(5.5)undecane: structure given in first source | ketal | |
| 4,4,4-trifluoro-1-phenyl-1,3-butanedione | 4,4,4-trifluoro-1-phenyl-1,3-butanedione: can trap reactive metabolites of carcinogens | ||
| 5-fluorosalicylic acid | 5-fluorosalicylic acid: structure given in first source; product from action of alkaline phosphatase on 5-fluorosalicyl phosphate; forms highly fluorescent terbium ternary complex | ||
| dibenzthione | dibenzthione: structure | aromatic amine | |
| n-(3-pyridylmethyl)pyrrolidine | N-(3-pyridylmethyl)pyrrolidine: nicotine antagonist; RN given refers to parent cpd | ||
| perfluoro-n-nonanoic acid | perfluorononanoic acid : A fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines. | fluoroalkanoic acid | persistent organic pollutant; surfactant; xenobiotic |
| 3-fluoropyruvate | 3-fluoropyruvate : The anion of 3-fluoropyruvic acid. 3-fluoropyruvate: a substrate for E coli pyruvate dehydrogenase; structure; RN given refers to parent cpd 3-fluoropyruvic acid : A pyruvic acid derivative having a 3-fluoro substituent. | 2-oxo monocarboxylic acid; organofluorine compound | |
| dabi | DABI: structure | ||
| 4-fluorobenzaldehyde | |||
| tangeretin | pentamethoxyflavone : A methoxyflavone that is flavone substituted by a five methoxy groups. tangeretin : A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. tangeretin: structure given in first source; from citrus plants; inhibits invasion of MO4 mouse cells into embryonic chick heart in vitro | pentamethoxyflavone | antineoplastic agent; plant metabolite |
| isopimpinellin | isopimpinellin: from Ruta graveolens & Heracleum lanatum; structure | psoralens | |
| isoimperatorin | isoimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. isoimperatorin: tumor necrosis factor antagonist isolated from Glehniae root | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
| harmol | harmol: harmol is oxidized form of alkaloid harmolol; RN given refers to parent cpd; structure | harmala alkaloid | |
| 5-hydroxyflavone | flavones | ||
| spiramide | spiramide : An azaspiro compound that consists of 1,3,8-triazaspiro[4.5]decan-4-one having a phenyl group attached to N-1 and a 3-(4-fluorophenoxy)propyl attached to N-8. Selective 5-HT antagonist, which binds to 5-HT2 sites as potently as spiperone but has lower affinity for 5-HT2C receptors. Also a high affinity D2 receptor antagonist (Ki = 3 nM). Lacks the disruptive effect of spiperone on animal behaviour. spiramide: RN given refers to parent cpd; structure | aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; serotonergic antagonist |
| seselin | seselin: structure in first source | coumarins | metabolite |
| delphinidin | delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart. Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology. | anthocyanidin chloride | |
| 5,6,7,8-tetrahydro-1-naphthol | 5,6,7,8-tetrahydro-1-naphthol : 1-naphthol hydrogenated at C-5, -6, -7 and -8. | tetralins | |
| 2,3-trimethylene-4-quinazolone | 2,3-trimethylene-4-quinazolone: structure in first source | quinazolines | |
| 2,6-dimethoxy-1,4-benzoquinone | 2,6-dimethoxy-1,4-benzoquinone: structure given in first source | ||
| azure b | azure B : An organic chloride salt having 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining and is an active metabolite of methylene blue. Azure B: RN given refers to chloride | ||
| 2-aminodiphenylamine | 2-aminodiphenylamine: structure in first source | ||
| dyclonine hydrochloride | dyclonine hydrochloride : The hydrochloride salt of dyclonine. | hydrochloride | topical anaesthetic |
| nebularine | nebularine : A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. nebularine: structure | purine ribonucleoside; purines D-ribonucleoside | fungal metabolite |
| perilla ketone | perilla ketone: potent lung toxin from Perilla frutescens; structure | aromatic ketone | |
| meconin | meconin: a marker for illicit opiate use | 2-benzofurans | |
| clomipramine hydrochloride | clomipramine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias. | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
| amiloride hydrochloride | amiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride. | hydrate | diuretic; sodium channel blocker |
| prazosin hydrochloride | hydrochloride | ||
| nitroscanate | |||
| mianserin hydrochloride | mianserin hydrochloride : The hydrochloride salt of mianserin, a tetracyclic compound with antidepressant effects. | hydrochloride | geroprotector |
| miconazole nitrate | miconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes. | ||
| alfatradiol | 17alpha-estradiol : An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer). alfatradiol: used for treating androgenetic alopecia | 17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol | estrogen; geroprotector |
| econazole nitrate | econazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-econazole nitrate. Used to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. | ||
| sertraline | sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression. | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
| fenspiride hydrochloride | |||
| oxiperomide | oxiperomide: dopamine-blocking agent | ||
| sanguinarine chloride | |||
| mezilamine | mezilamine: RN given refers to parent cpd; synonym O 6553 refers to HCl; structure | ||
| clanfenur | clanfenur: a substituted benzoylphenyl urea; structure given in first source | ||
| rilmenidine | Rilmenidine: Oxazole derivative that acts as an agonist for ALPHA-2 ADRENERGIC RECEPTORS and IMIDAZOLINE RECEPTORS. It is used in the treatment of HYPERTENSION. | isourea | |
| selfotel | selfotel: a N-methyl-D-aspartate (NMDA) antagonist; used to treat stroke-induced impairment | non-proteinogenic alpha-amino acid | |
| zoledronic acid | zoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position. Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS. | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
| talinolol | ureas | ||
| budipine | budipine: RN given refers to parent cpd; structure in Negwer, 5th ed, #6541 | diarylmethane | |
| artemisinin | (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
| mesulergine | mesulergine : A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors. mesulergine: RN given refers to parent cpd; CU 32-085 is synonymous to mono-HCl; metabolized into dopaminergic agonists; structure given in first source | ergot alkaloid; sulfamides | antiparkinson drug; dopamine agonist; serotonergic antagonist |
| epiroprim | epiroprim: an analog of trimethoprim with improved antimicrobial and pharmacokinetic properties; structure given in first source | ||
| quinocide | quinocide: Russian drug; RN given refers to parent cpd; structure | ||
| bithionol sulfoxide | bithionol sulfoxide: RN given refers to parent cpd; structure | ||
| metiprenaline | metiprenaline: RN given refers to parent cpd | ||
| 4-aminopyrimidine | aminopyrimidine | ||
| 1,1-cyclopropanedicarboxylate | cyclopropane-1,1-dicarboxylic acid: inhibits 1-aminocyclopropane-1-carboxylic acid oxidase; structure in first source | ||
| piloty's acid | Piloty's acid: structure in first source | sulfonamide | |
| 4-benzoylbenzoic acid | 4-carboxybenzophenone: a photosensitizer agent | ||
| 5-aminovaleric acid hydrochloride | |||
| ethyl 4-chloro-3-oxobutanoate | |||
| malvidin chloride | |||
| 4(5)-phenylimidazole | 4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist | ||
| 2-phenylimidazole | |||
| 2-hydroxy-4-methoxybenzaldehyde | 2-hydroxy-4-methoxybenzaldehyde: from African medicinal plants: Mondia whitei (Apocynaceae), Rhus vulagaris (Anacardiaceae), Sclerocarya caffra (Anacardiaceae) | methoxybenzenes; phenols | |
| n-acetylhistamine | N-acetylhistamine : A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function. | acetamides; imidazoles | human metabolite |
| 12-aminododecanoic acid | 12-aminododecanoic acid : An omega-amino fatty acid that is dodecanoic acid in which one of the terminal amino hydrogens has been replaced by an amino group. 12-aminododecanoic acid: RN given refers to parent cpd; structure given in first source | medium-chain fatty acid; omega-amino fatty acid | bacterial metabolite |
| 9-methyladenine | 9-methyladenine : Adenine substituted with a methyl group at position N-9. | methyladenine | metabolite |
| 2-Oxo-4-phenylbutyric acid | benzenes | ||
| 2,6-di-tert-butyl-4-nitrophenol | 2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines | ||
| perfluorooctanesulfonamide | perfluorooctanesulfonamide : A perfluorinated compound that is perfluorooctane in which one of the terminal fluorines has been replace by a sulfamoyl group. | perfluorinated compound; sulfonamide | persistent organic pollutant |
| 4-phenylpiperidine | |||
| isoscopoletin | isoscopoletin : A hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. | aromatic ether; hydroxycoumarin | plant metabolite |
| 1-hydroxy-2(1h)-pyridinone | 1-hydroxy-2(1H)-pyridinone: structure in first source | ||
| 2,2'-Dihydroxybenzophenone | benzophenones | ||
| fluorone black | fluorone Black: structure | ||
| 1-(4-pyridyl)piperazine | 1-(4-pyridyl)piperazine: structure in first source | ||
| 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine | 1,2,4-triazines | ||
| butanediol diacrylate | butanediol diacrylate: RN given is for 1,4-butanediol diacrylate; structure | ||
| 3-methylxanthine | 3-methyl-7H-xanthine : A 3-methylxanthine tautomer where the imidazole proton is located at the 7-position. 3-methyl-9H-xanthine : A 3-methylxanthine tautomer where the imidazole proton is located at the 9-position. | 3-methylxanthine | metabolite |
| stearyltrimethylammonium bromide | octadecyltrimethylammonium bromide: structure in first source | ||
| 4-ethylcatechol | 4-ethylcatechol: structure in first source | catechols | |
| 2-Benzo[b]thiophen-3-ylacetic acid | 1-benzothiophenes | ||
| 2-(2'-pyridyl)benzimidazole | 2-(2'-pyridyl)benzimidazole: structure in first source | ||
| 4-hexyloxybenzoic acid | 4-hexyloxybenzoic acid: structure in first source | ||
| 2,3,4-trihydroxbenzophenone | 2,3,4-trihydroxbenzophenone : A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator. | benzenetriol; hydroxybenzophenone | drug metabolite; EC 1.14.18.1 (tyrosinase) inhibitor; human urinary metabolite; quorum sensing inhibitor; rat metabolite |
| 2,2',2''-terpyridine | 2,2',2''-terpyridine: RN given refers to parent cpd 2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings. | terpyridines | chelator |
| 6-methylthioguanine | 2-aminopurines; thiopurine | human xenobiotic metabolite | |
| 9-chloroacridine | 9-chloroacridine: chromogenic reagent for detection of arylhydroxylamines & arylamines on paper & thin layer chromatograms; structure | ||
| adrenoglomerulotropin | adrenoglomerulotropin: aldosterone stimulating hormone found in extracts of pineal gland; structure | ||
| 2-Methoxyxanthone | xanthones | ||
| aprofen | aprofen: RN given refers to parent cpd; structure | ||
| aminoquinuride | |||
| enrofloxacin | enrofloxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets. Enrofloxacin: A fluoroquinolone antibacterial and antimycoplasma agent that is used in veterinary practice. | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
| vinburnine | alkaloid | ||
| 5-methyl-8-hydroxyquinoline | 5-methyl-8-hydroxyquinoline: RN given refers to parent cpd; structure in first source & in Negwer, 5th ed, #1202 | hydroxyquinoline | |
| 6-amino-1-hydroxyhexane-1,1-diphosphonate | 6-amino-1-hydroxyhexane-1,1-diphosphonate: used for therapy of Paget's disease of bone & malignant hypercalcaemia | 1,1-bis(phosphonic acid) | |
| erythromycin propionate | erythromycin propionate: form in which erythromycin estolate is principally absorbed | erythromycin derivative | |
| nebivolol | 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] : A member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group. | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
| lazabemide | lazabemide: structure given in first source | ||
| atipamezole | |||
| uk 68798 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker | |
| danofloxacin | quinolines | ||
| binospirone mesylate | binospirone mesylate: structure given in first source; a serotonin 1A receptor agonist; a putative 5-HT(1A) receptor antagonist | ||
| hp 873 | iloperidone : A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia. iloperidone: an atypical, negative symptom antipsychotic agent | 1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
| clobetasone butyrate | organic molecular entity | ||
| masoprocol | masoprocol : The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. Masoprocol: A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
| labetalol hydrochloride | salicylamides | ||
| amidonal | indanes | ||
| diflorasone diacetate | diflorasone diacetate : The 17,21-diacetate derivative of diflorasone. It is used topically for its anti-inflammatory and antipruritic properties in the treatment of various skin disorders. | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid | anti-inflammatory drug; antipruritic drug |
| premafloxacin | quinolines | ||
| maprotiline hydrochloride | anthracenes | ||
| azamethiphos | organic thiophosphate; organochlorine acaricide; organochlorine insecticide; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
| 4-fluorobenzamide | 4-fluorobenzamide: structure in first source | ||
| opipramol hydrochloride | |||
| 7-methyladenine | 7-methyladenine : Adenine substituted with a methyl group at position N-7. 7-methyladenine: potential marker for monitoring exposure to methylatingcarcinogens | methyladenine | metabolite |
| hydroxyzine dihydrochloride | |||
| 16-bromoepiandrosterone | 16alpha-bromo-3beta-hydroxy-5alpha-androstan-17-one: a synthetic adrenal hormone that reduced the incidence of tuberculosis and other opportunistic infections in AIDS patients | ||
| voriconazole | voriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A. | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
| betamipron | organonitrogen compound; organooxygen compound | ||
| fomocain | fomocain: a basic ether with local anesthetic action & relative low toxicity & systemic effects; minor descriptor (77-86); on-line & INDEX MEDICUS search PHENYL ETHERS (77-86); RN given refers to parent cpd | amine | |
| enocitabine | organic molecular entity | ||
| carazolol | carazolol: RN given refers to parent cpd without isomeric designation; structure | carbazoles | |
| aceclofenac | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
| mdl 11939 | alpha-phenyl-1-(2-phenylethyl)-4-piperidinemethanol: class III antiarrythmic agent; structure given in first source | primary amine | |
| secnidazole | C-nitro compound; imidazoles; secondary alcohol | epitope | |
| menbutone | menbutone: structure | butanone | |
| chlormidazole | chlormidazole: structure | benzimidazoles | |
| efaroxan | efaroxan: RN given refers to parent cpd | 1-benzofurans | |
| pheneturide | pheneturide: product of ring hydrolysis of phenobarbital; structure; RN given refers to parent cpd without isomeric designation | amine | |
| octylonium bromide | |||
| (S)-flurbiprofen | flurbiprofen | ||
| thioxolone | tioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position. | benzoxathiole | antiseborrheic |
| tioxidazole | tioxidazole: structure | benzothiazoles | |
| tiquizium bromide | thiaton: antispasmodic; RN refers to bromide (trans)-isomer tiquizium bromide : A organic bromide salt of tiquizium. It is an antispasmodic drug used for the treatment of convulsion and hypermobility in gastritis, gastric ulcer, duodenal ulcer, enteritis, irritable bowel syndrome, gallbladder disease, biliary tract disease and urolithiasis. | organic bromide salt; quaternary ammonium salt | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
| ubenimex | ubenimex: growth inhibitor | ||
| 3-octadecanamido-2-ethoxypropylphosphocholine | 3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source | ||
| epicatechin | (-)-epicatechin : A catechin with (2R,3R)-configuration. | catechin; polyphenol | antioxidant |
| gallocatechol | (-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration. | catechin; flavan-3,3',4',5,5',7-hexol | antioxidant; food component; plant metabolite |
| 6-hydroxyflavone | 6-hydroxyflavone: antioxidant; structure in first source | hydroxyflavonoid | |
| hesperetin | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite | |
| methotrimeprazine | methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively. Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604) | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
| magnolol | biphenyls | ||
| tetrahydropalmatine | an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound | adrenergic agent; dopaminergic antagonist; non-narcotic analgesic | |
| honokiol | biphenyls | ||
| sesamin | (+)-sesamin : A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
| columbamine | berberine alkaloid; organic heterotetracyclic compound | ||
| chelerythrine chloride | |||
| jatrorrhizine | jatrorrhizine: isolated from bark of Enantia chlorantha (Annonaceae); structure given in first source | alkaloid | |
| betulin | betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. betulin: isolated from various white birch bark (BETULA) | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
| clevudine | |||
| nobiletin | nobiletin : A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively. | methoxyflavone | antineoplastic agent; plant metabolite |
| 5-iodo-6-amino-1,2-benzopyrone | |||
| picropodophyllin | picropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
| sori 8895 | SoRI 8895: RN in first source | ||
| meridine | meridine: polycyclic alkaloid derived from the marine sponge Corticium sp; structure given in first source | ||
| grepafloxacin | grepafloxacin: structure in first source | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
| polygodial | aldehyde | ||
| 9-methoxyellipticine | 9-methoxyellipticine: RN given refers to parent cpd | ||
| 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid | 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid: structure given in first source | ||
| methyl fluorone black | methyl fluorone black: structure | ||
| alantolactone | alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
| 2-acetylamino-3-chloro-1,4-naphthoquinone | 2-acetylamino-3-chloro-1,4-naphthoquinone: structure in first source | ||
| 5-methyl-1,10-phenanthroline | |||
| 1,10-phenanthroline-5,6-dione | 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source | ||
| xanthydrol | |||
| benzoylpropionic acid | 4-oxo-4-phenylbutyric acid : A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4. benzoylpropionic acid: structure in first source | 4-oxo monocarboxylic acid | hapten |
| indole-2-carboxylic acid | indolyl carboxylic acid | ||
| 2-aminonicotinic acid | 2-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 2 of the pyridine ring. 2-aminonicotinic acid: structure in first source aminonicotinic acid : An aromatic amino acid that is nicotinic acid in which one of the hydrogens attached to the pyridine ring is replaced by an amino group. A 'closed class'. | aminonicotinic acid; aminopyridine | metabolite |
| vexibinol | sophoraflavanone G : A tetrahydroxyflavanone having a structure of naringenin bearing an additional hydroxyl substituent at position 2' as well as a (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl (lavandulyl) substituent at position 8'. vexibinol: flavanol from Sophora; structure in first source; RN given refers to (S-(R*,S*))-isomer | (2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone | antimalarial; antimicrobial agent; antioxidant; plant metabolite |
| methylene violet | methylene violet: structure given in first source | ||
| beta-aminoglutaric acid | 3-aminoglutaric acid: RN given refers to parent cpd; structure given in first source isoglutamic acid : A 1,5-dicarboxylic acid compound having a 3-amino substituent. It has been isolated from the extracts of the algae, Chondria armata. | dicarboxylic acid | algal metabolite; marine metabolite |
| tosyllysine chloromethyl ketone | |||
| rebeccamycin | rebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens. rebeccamycin: from actinomycete strain C-38,383; structure given in first source | indolocarbazole; N-glycosyl compound; organic heterohexacyclic compound; organochlorine compound | |
| 9-(2,3-dihydroxypropyl)adenine, (s)-isomer | |||
| 1,2,3,6-tetragalloylglucose | 1,2,3,6-tetragalloylglucose: structure given in first source 1,2,3,6-tetrakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. | gallate ester; galloyl beta-D-glucose | |
| pinostrobin | monohydroxyflavanone; monomethoxyflavanone | antidote; plant metabolite | |
| pinobanksin | pinobanksin : A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. pinobanksin: a flavonoid from propolis; RN refers to (2R-trans)-isomer | secondary alpha-hydroxy ketone; trihydroxyflavanone | antimutagen; antioxidant; metabolite |
| xanthomicrol | xanthomicrol : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 8 and hydroxy groups at positions 5 and 4'. xanthomicrol: structure in first source | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
| thianthrene 5-oxide | thianthrene 5-oxide: used as a probe of the electrophilicity of hemoprotein oxidizing species; structure given in first source | ||
| 2-chloranil | |||
| voacamine | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; plant metabolite | |
| nicosulfuron | nicosulfuron : A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen. nicosulfuron: inhibits ACETOLACTATE SYNTHASE; Accent is DuPont brand name | N-sulfonylurea; pyridines; pyrimidines | environmental contaminant; herbicide; xenobiotic |
| hederagenin | dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin | plant metabolite | |
| doripenem | Doripenem: A carbapenem derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of infections such as HOSPITAL-ACQUIRED PNEUMONIA, and complicated intra-abdominal or urinary-tract infections, including PYELONEPHRITIS. | carbapenems | |
| 2,6-dimethylphenylphthalimide | 2,6-dimethylphenylphthalimide: enhances alpha-tumor necrosis factor production; structure in first source | ||
| strictinin | strictinin: antioxidant from green tea leaves (Camellia sinensis L.); structure in first source | ||
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
| amperozide | amperozide : A member of the class of ureas that is urea in which three of the four hydrogens are replaced by ethyl and 4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl groups. An atypical antipsychotic which was in clinical development for the treatment of schizophrenia and substance-related disorders. It is a potent 5-HT2A antagonist and used in veterinary medicine because of its sedative effect on pigs. | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
| amperozide hydrochloride | amperozide hydrochloride : The hydrochloride salt of amperozide. | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
| gramicidin s | homodetic cyclic peptide | ||
| dauricine | dauricine : A bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter). dauricine: RN given refers to parent cpd | aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound | plant metabolite |
| madecassic acid | monocarboxylic acid; pentacyclic triterpenoid; tetrol | antioxidant; plant metabolite | |
| dehydroleucodine | dehydroleucodine: has antimicrobial activity; RN given refers to (3aS-(3aalpha,9aalpha,9bbeta))-isomer | ||
| ergocornine | ergocornine : Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. ergocornine: a component of ergotoxine; minor descriptor (75-86); on-line & INDEX MEDICUS search ERGOLINES (75-86); RN given refers to ((5'alpha)-isomer) | ergot alkaloid | |
| tryptanthrine | tryptanthrine: minor constituent of traditional Chinese medicine qing dai | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
| corilagin | corilagin : An ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core. corilagin: isolated from Geranii herba | ellagitannin; gallate ester | antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug |
| prochloraz | Mirage: a feldspathic porcelain that can be etched & bonded to the tooth prochloraz : A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables. | amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
| isoxaben | isoxaben : A benzamide obtained by formal condensation of the carboxy group of 2,6-dimethoxybenzoic acid and the amino group of 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine. | benzamides; isoxazoles | cellulose synthesis inhibitor; herbicide |
| flusilazole | flusilazole : An organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops. flusilazole: structure given in first source | conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
| stictic acid | stictic acid: antioxidant from lichen, Usnea articulata; structure in first source | aromatic ether | |
| Pyrrolidine-1-carbonitrile | pyrrolidines | ||
| crystal violet lactone | crystal violet lactone: triarylmethane color former component of carbonless copy paper; structure given in first source | benzofurans | |
| 3-aminopicolinic acid | |||
| 2-amino-1-methylbenzimidazole | 2-amino-1-methylbenzimidazole: structure in first source | benzimidazoles | |
| n-benzylmaleimide | |||
| 3,4,7,8-tetramethyl-1,10-phenanthroline | |||
| Oroselone | furanocoumarin | ||
| perfluorooctane sulfonic acid | perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
| 2-ketopentanoic acid | 2-ketopentanoic acid: RN given refers to parent cpd 2-oxopentanoic acid : An oxopentanoic acid carrying an oxo group at position 2. | 2-oxo monocarboxylic acid; oxopentanoic acid | human metabolite |
| 2-phenylisatogen | 2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure | ||
| 2,5-di-tert-butyl-4-hydroxyanisole | 2,5-di-tert-butyl-4-hydroxyanisole: structure given in first source | methoxybenzenes; phenols | |
| atovaquone | atovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols. | hydroxy-1,2-naphthoquinone | |
| irinotecan hydrochloride | irinotecan hydrochloride (anhydrous) : A hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of its trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. | hydrochloride | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
| tetrahexylammonium | tetrahexylammonium: RN given refers to parent cpd | ||
| iodophthalein, disodium salt | |||
| iodophthalein | |||
| 4-(2-thiazolylazo)resorcinol | 4-(2-thiazolylazo)resorcinol: sensitive indicator for metals | ||
| 4-aminopyrazolo(3,4-d)pyrimidine | 4-aminopyrazolo(3,4-d)pyrimidine: adenine analog which suppresses growth of E coli & Bacillus cereus; inhibits cell growth & purine biosynthesis in rat hepatoma | ||
| victoria blue bo | Victoria blue BO: a cationic triarylmethane dye; exhibits photodynamic activity against the human leukemic cell lines K-562 and TF-1 | ||
| 2-hydroxyfluorene | 2-hydroxyfluorene: structure in first source | fluorenes | |
| 2,4'-bisphenol f | 2,4'-bisphenol F: contact allergen; structure given in first source | ||
| 4-hydroxybutyl acrylate | |||
| 3-phenylpropyl isothiocyanate | 3-phenylpropyl isothiocyanate: structure given in first source | benzenes | |
| 4'-bromosalicylanilide | 4'-bromosalicylanilide: photoproduct from UV-irradiation of tribromsalan; structure | ||
| 4,4'-dipyridyl disulfide | 4,4'-dipyridyl disulfide : An organic disulfide obtained by formal oxidative dimerisation of 4-thiopyridine. | organic disulfide; pyridines | |
| n-desmethylflunitrazepam | |||
| 2,3-bis(benzoyloxy)tartaric acid | 2,3-bis(benzoyloxy)tartaric acid: SNC-86 refers to (-)dibenzoyl-L-tartaric acid salt | ||
| 4-aminobenzamide | benzamides | ||
| octyltriethoxysilane | organosilicon compound | ||
| butyrylcholine chloride | |||
| 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane | 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane: methoxychlor metabolite | bisphenol | |
| 1-(2,4-dihydroxyphenyl)-1-hexanone | aromatic ketone | ||
| moroxydine monohydrochloride | |||
| 9,9-bis(4-hydroxyphenyl)fluorene | fluorene-9-bisphenol: derivative of bisphenol A | fluorenes; polyphenol | anti-estrogen |
| n,n'-4-phenylenedimaleimide | |||
| 3,5-di-tert-butyl-1,2-benzoquinone | |||
| 4-Methoxybenzamide | benzamides | ||
| di-n-octyltin dichloride | |||
| 5-chlorotryptamine | |||
| 2,4-dichloropyrimidine | |||
| 3-acetylcoumarin | 3-acetylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group. 3-acetylcoumarin: structure given in first source | coumarins | |
| 4'-methoxyflavone | 4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source | ether; flavonoids | |
| methyl tryptophan, (l-trp)-isomer | |||
| rivastigmine | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent | |
| eletriptan | eletriptan : An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. eletriptan: 5-HT(1B/1D) receptor agonist; structure in first source | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
| rosiglitazone | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug | |
| erucin | isothiocyanate | ||
| truxillic acid | truxillic acid: RN given refers to cpd with unspecified isomeric designation; structure | ||
| methyl 2,4-dihydroxy-3,6-dimethyl benzoate | atraric acid: structure in first source; from the stem barks of Newbouldia laevis | 4-hydroxybenzoate ester | |
| 2-methyl-4-nitroquinoline 1-oxide | 2-methyl-4-nitroquinoline 1-oxide: structure | ||
| 7-aminonitrazepam | 7-aminonitrazepam: urinary metabolite of nitrazepam | benzodiazepine | |
| ortho-(1-naphthoyl)benzoic acid | ortho-(1-naphthoyl)benzoic acid: structure in first source | ||
| 2-aminopyrazine | pyrazines | ||
| glucose | (1->3)-alpha-D-glucan : An alpha-D-glucan in which the glucose units are connected by (1->3) linkages. (1->6)-alpha-D-glucan : An alpha-D-glucan in which the glucose units are connected by (1->6) linkages. alpha-D-glucose : D-Glucopyranose having alpha-configuration at the anomeric centre. | D-glucopyranose | mouse metabolite |
| 3-cyano-6-hydroxy-4-methyl-2-pyridone | 3-cyano-6-hydroxy-4-methyl-2-pyridone: structure in first source | ||
| isopropyl thioxanthone | isopropyl thioxanthone: structure in first source | ||
| 3,3-diphenylpropylamine | 3,3-diphenylpropylamine: has antiextensor effect & worsens clonic seizure produced by pentylenetetrazole; RN given refers to parent cpd | ||
| 4-amino-2,6-dichlorophenol | |||
| 1-methylxanthine | 1-methyl-7H-xanthine : A 1-methylxanthine tautomer where the imidazole proton is located at the 7-position. 1-methylxanthine : A monomethylxanthine having the methyl group located at the 1-position. It is a metabolite of caffeine in humans. 1-methylxanthine: urinary metabolite of caffeine | 1-methylxanthine | mouse metabolite |
| lotrafiban | |||
| tetraconazole | 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole : A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group. tetraconazole : A racemate comprising equal amounts of (R)- and (S)-tetraconazole. A fungicide used to control a range of fungal infections including powdery mildew, rusts, bunt, loose smut and scab. | dichlorobenzene; ether; organofluorine compound; triazoles | |
| alpha-thujaplicin | alpha-thujaplicin: structure in first source | ||
| chloropyramine hydrochloride | |||
| 2-(carboxymethylthio)benzothiazole | 2-(carboxymethylthio)benzothiazole: oxidation product of 2-(hydroxyethylthio)benzothiazole; structure given in first source | ||
| 6,7-dichloroquinoxaline-2,3-dione | |||
| 1,8-diazabicyclo(5.4.0)undec-7-ene | |||
| benzylphosphonic acid | benzenes | ||
| 5-phenoxysulfonyl-1-methyl-4-nitroimidazole | 5-phenoxysulfonyl-1-methyl-4-nitroimidazole: structure given in first source | ||
| 7-nitro-1h-indole-2-carboxylic acid | 7-nitro-1H-indole-2-carboxylic acid: acts on AP endonuclease, 3'-phosphodiesterase, and 3'-phosphatase activities of APE1; structure in first source | ||
| 8-bromoadenine | 8-bromoadenine: affects DNA repair | ||
| N,N'-bis(3-methylphenyl)ethane-1,2-diamine | aminotoluene | ||
| ethyl 2-cyanoacrylate | ethyl 2-cyanoacrylate: RN given refers to monomer | ||
| 1-phenylimidazole | 1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation | ||
| leucyl-alanine | Leu-Ala : A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage. | dipeptide | metabolite |
| 2-hydroxy-2-methylpropiophenone | 2-hydroxy-2-methylpropiophenone: structure in first source | ||
| pentaerythritol tetra(3-mercaptopropionate) | pentaerythritol tetra(3-mercaptopropionate): structure in first source | ||
| cryptolepine | cryptolepine : An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group. cryptolepine: fused indole-quinoline; structure in first source; from CRYPTOLEPIS sanguinolenta | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
| 2-bromopalmitate | 2-bromohexadecanoic acid : A bromo fatty acid that is hexadecanoic (palmitic) acid carrying a single bromo substituent at position 2. 2-bromopalmitate: inhibitor of fatty acid oxidation; RN given refers to parent cpd | 2-bromocarboxylic acid; bromo fatty acid; long-chain fatty acid; straight-chain fatty acid | fatty acid oxidation inhibitor |
| bexarotene | benzoic acids; naphthalenes; retinoid | antineoplastic agent | |
| s20098 | acetamides | ||
| flunisolide | flunisolide: flunisolide HFA is a formulation of flunisolide using hydrofluoroalkane (HFA) as propellant in place of chlorofluorocarbon (CFC) ones | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
| n-hydroxynaphthalimide | N-hydroxynaphthalimide: structure in first source | ||
| 8-(4-tolylsulfonylamino)quinoline | 8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source | sulfonamide | |
| 5-chloroindole-2-carboxylate | 5-chloroindole-2-carboxylate: N-methyl-D-aspartate glycine site antagonist | indolyl carboxylic acid | |
| 4-phenylbutylamine | 4-phenylbutylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group. 4-phenylbutylamine: used as a drug partition into lipid bilayers in a cubic liquid-crystalline phase | benzenes; phenylalkylamine; primary amino compound | |
| eriocitrin | eriocitrin : A disaccharide derivative that consists of eriodictyol substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. eriocitrin: structure in first source | 3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone | antioxidant |
| alanylproline | alanylproline: RN given refers to all (L)-isomer | dipeptide; dipeptide zwitterion | metabolite |
| orphenadrine citrate | orphenadrine citrate : A citrate salt which comprises equimolar amounts of orphenadrine and citric acid. | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
| tetramethrin | tetramethrin: structure | cyclopropanecarboxylate ester; maleimides; phthalimide insecticide | pyrethroid ester insecticide |
| ketorolac tromethamine | ketorolac tromethamine : An organoammonium salt resulting from the mixture of equimolar amounts of ketorolac and tromethamine (tris). It has potent non-sedating analgesic and moderate anti-inflammatory effects. It is used in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. Ketorolac Tromethamine: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is a non-steroidal anti-inflammatory agent used for analgesia for postoperative pain and inhibits cyclooxygenase activity. | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
| fentanyl isothiocyanate | fentanyl isothiocyanate: specific reagent for irreversible inactivation of delta opiate receptors in rat brain membranes; structure given in first source | piperidines | |
| clarithromycin | clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation. | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
| 3-demethylthiocolchicine | 3-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85 | ||
| 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene | diarylmethane | ||
| 4-methylumbelliferyl sulfate | 4-methylumbelliferone sulfate : A member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone. 4-methylumbelliferyl sulfate: RN given refers to parent cpd | aryl sulfate; coumarins | human xenobiotic metabolite |
| hei 712 | organofluorine compound; quinolone | ||
| n-(4-(2-benzoxazolyl)phenyl)maleimide | |||
| 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile | 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile : A member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups. fenbuconazole : A racemate comprising equimolar amounts of (R)- and (S)-fenbuconazole. A fungicide used to control a range of diseases including powdery mildew, black rot and scab. fenbuconazole: fenbuconazole is a formulant in the fungicide Enable; structure in first source | monochlorobenzenes; nitrile; triazoles | |
| difenoconazole | difenoconazole : A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms. | aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
| metconazole | metconazole : A member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzyl and geminal dimethyl substituents at positions 1, 2 and 5 respectively. Used to control a range of fungal infections including alternaria, rusts, fusarium and septoria diseases. | conazole fungicide; cyclopentanols; monochlorobenzenes; tertiary alcohol; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| carfentrazone-ethyl | carfentrazone-ethyl : A racemate comprising equimolar amounts of (R)- and (S)-carfentrazone-ethylcarfentrazone-ethyl. A proherbicide for the herbicide carfentrazone (by hydrolysis of the ester group to the corresponding acid), it is used to control broad-leafed weeds in potatoes and cereal crops. carfentrazone-ethyl: structure in first source ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate : An ethyl ester resulting from the formal condensation of the carboxy group of 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid with ethanol. | ethyl ester | proherbicide |
| 4-chloro-n-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide | pyrazole acaricide; pyrazole insecticide | mitochondrial NADH:ubiquinone reductase inhibitor | |
| cyprodinil | cyprodinil : A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees. cyprodinil: structure in first source | aminopyrimidine; anilinopyrimidine fungicide; cyclopropanes; secondary amino compound | antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic |
| fludioxonil | fludioxonil : A member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria. fludioxonil: structure in first source | benzodioxoles; nitrile; organofluorine compound; pyrroles | androgen antagonist; antifungal agrochemical; estrogen receptor agonist |
| foe 5043 | flufenacet : An aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group. FOE 5043: an oxyacetamide with herbicidal activity; structure given in first source | aromatic amide; monofluorobenzenes; thiadiazoles | environmental contaminant; herbicide; xenobiotic |
| alpha-tocopherol acetate | tocol | ||
| 5-Chloro-1H-indole-2,3-dione | indoles | anticoronaviral agent | |
| 4-methylumbelliferyl butyrate | 4-methylumbelliferyl butyate : A member of the class of coumarins that is 4-methylumbelliferone in which the hydroxyl hydrogen is replaced by a butyryl group. 4-methylumbelliferyl butyrate: substrate from butyrate esterase | butyrate ester; coumarins | chromogenic compound |
| loganin | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite | |
| 2,3,6-trimethyl-1,4-naphthoquinone | 2,3,6-trimethyl-1,4-naphthoquinone: isolated from tobacco; structure in first source | ||
| 7-(diethylamino)-1-benzopyran-2-one | coumarins | ||
| 5-iodoisatin | 5-iodoisatin: structure in first source | indoles | anticoronaviral agent |
| 5,7-dimethoxyflavone | chrysin 5,7-dimethyl ether : A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. | dimethoxyflavone | plant metabolite |
| tretazicar | tretazicar: minor descriptor (75-84); on-line & Index Medicus search AZIRIDINES (75-84) | ||
| acetyl methyl tetramethyl tetralin | acetyl methyl tetramethyl tetralin: musk fragrance; structure given in first source | tetralins | |
| 5-benzyloxytryptamine | |||
| nicotine | (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
| altersolanol a | altersolanol A: isolated from fermentation product of fungus Alternaria porri(Ellis) Ciferri;RN given refers to (1R-(1alpha,2beta,3beta,4alpha))-isomer; structure given in first source | pentahydroxyanthraquinone | |
| cinchonine | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite | |
| 2,2-dimethoxy-2-phenylacetophenone | |||
| moexipril | peptide | ||
| tandospirone | tandospirone : A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM). tandospirone: structure given in first source | bridged compound; dicarboximide; N-alkylpiperazine; N-arylpiperazine; pyrimidines | antidepressant; anxiolytic drug |
| tiagabine hydrochloride | tiagabine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of tiagabine and hydrogen chloride. A GABA reuptake inhibitor, it is used for the treatment of epilepsy. | hydrochloride | anticonvulsant; GABA reuptake inhibitor |
| c.i. direct red 23 | C.I. Direct Red 23: azo dye; structure in first source | ||
| 1-(10-methyl-2-phenothiazinyl)ethanone | phenothiazines | ||
| phentolamine mesylate | |||
| beta-eudesmol | beta-eudesmol : A carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). beta-eudesmol: found in Atractylodes and other plants; RN given refers to (2R-(2alpha,4aalpha,8abeta))-isomer | carbobicyclic compound; eudesmane sesquiterpenoid; tertiary alcohol | volatile oil component |
| matrine | alkaloid | ||
| equol | Equol: A non-steroidal ESTROGEN generated when soybean products are metabolized by certain bacteria in the intestines. | hydroxyisoflavans | |
| mephentermine | sphinganine : A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration. | 2-aminooctadecane-1,3-diol | EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite |
| prochlorperazine edisylate salt | |||
| inermin | (-)-maackiain : The (-)-enantiomer of maackiain. inermin: phytoalexin produced in plants after injection with fungi; RN given refers to (cis-(+-))-isomer; RN for cpd without isomeric designation; structure | maackiain | |
| bisphenol f diglycidyl ether | bisphenol F diglycidyl ether : An aromatic ether that is bisphenol F where the hydrogens of both hydroxy groups have been replaced by a oxiran-2-ylmethyl group. bisphenol F diglycidyl ether: structure in first source | aromatic ether; diarylmethane; epoxide | |
| 5'-adenylyl (beta,gamma-methylene)diphosphonate | 5'-adenylyl (beta,gamma-methylene)diphosphonate: do not confuse with alpha,beta-methyleneadenosine 5'-triphosphate | nucleoside triphosphate analogue | |
| alpha,beta-methyleneadenosine 5'-triphosphate | alpha,beta-methyleneadenosine 5'-triphosphate: do not confuse with beta,gamma-methylene ATP; RN given refers to parent cpd | nucleoside triphosphate analogue | |
| salsolinol | (S)-salsolinol : A 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol that has S-configuration. salsolinol: RN given refers to cpd without isomeric designation; EP to SALSOLINE ALKALOIDS (78-82); on-line search SALSOLINE ALKALOIDS (78-82); Index Medicus search ISOQUINOLINES (78-82) | 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol | human urinary metabolite |
| gliquidone | gliquidone: structure; RN given refers to parent cpd | isoquinolines | |
| 9-hydroxyellipticine | 9-hydroxyellipticine : A organic heterotetracyclic compound that is ellipticine in which the hydrogen at position 9 has been replaced by a hydroxy group. 9-hydroxyellipticine: RN given refers to parent cpd | organic heterotetracyclic compound; organonitrogen heterocyclic compound | antineoplastic agent |
| hydroxyflutamide | |||
| kathon 930 | 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone : A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide. Kathon 930: cp was added to finishing agents in textile factories; caused contact dermatitis; structure given in first source | 1,2-thiazoles; organochlorine compound | environmental contaminant; fungicide; xenobiotic |
| pencycuron | pencycuron : A member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. pencycuron: structure given in first source | monochlorobenzenes; phenylureas | antifungal agrochemical |
| penconazole | 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole : A member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. penconazole : A racemate comprising equal amounts of (R)- and (S)-penconazole. A fungicide used to control powdery mildew, scab and other pathogenic Ascomycetes, Basidiomycetes and Deuteromycetes. penconazole: structure given in first source | dichlorobenzene; triazoles | |
| triflumizol | triflumizol: structure given in first source triflumizole : A carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops. | ||
| chlorfluazuron | chlorfluazuron: chitin synthesis inhibitor | benzoylurea insecticide; dichlorobenzene; organochlorine insecticide; organofluorine insecticide | |
| fluazinam | fluazinam : A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens. fluazinam: structure given in first source | (trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound | allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic |
| teflubenzuron | teflubenzuron : A N-acylurea that is N-carbamoyl-2,6-difluorobenzamide substituted by a 3,5-dichloro-2,4-difluorophenyl group at the terminal nitrogen atom. teflubenzuron: effective against development of house fly larvae (Musca domestica) | dichlorobenzene; difluorobenzene; N-acylurea | environmental contaminant; insecticide; xenobiotic |
| pyridaben | organochlorine acaricide; organochlorine insecticide; pyridazinone | mitochondrial NADH:ubiquinone reductase inhibitor | |
| flufenoxuron | (trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes | mite growth regulator | |
| tebufenozide | tebufenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars. tebufenozide: structure given in first source | carbohydrazide | ecdysone agonist; environmental contaminant; xenobiotic |
| chlorfenapyr | chlorfenapyr : A member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests. chlorfenapyr: an experimental pour-on formulation, a new generation pyrethroid available to producers | hemiaminal ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles | proacaricide; proinsecticide |
| delta-tocopherol | tocopherol; vitamin E | food antioxidant; plant metabolite | |
| sarsasapogenin | sapogenin | ||
| L-2-aminoadipic acid | L-2-aminoadipic acid : The L-enantiomer of 2-aminoadipic acid. | 2-aminoadipic acid | Escherichia coli metabolite; human metabolite |
| riboflavin tetrabutyrate | riboflavin tetrabutyrate: RN given refers to unlabeled parent cpd | flavin | |
| adenosine 5'-methylenediphosphate | nucleoside diphosphate analogue | ||
| n(6)-benzyladenosine | N(6)-benzyladenosine: RN given refers to parent cpd | ||
| levobupivacaine | levobupivacaine : The (S)-(-)-enantiomer of bupivacaine. Levobupivacaine: S-enantiomer of bupivacaine that is used as a local anesthetic and for regional nerve blocks, including EPIDURAL ANESTHESIA. | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
| ro 20-1815 | 7-aminoflunitrazepam: flunitrazepam metabolite; structure given in first source | benzodiazepine | |
| tarenflurbil | tarenflurbil: R-enantiomer of flurbiprofen but not a COX inhibitor; modulates NF-kB, gamma-secretase, amyloid beta-protein; | flurbiprofen | |
| n-(4,4-diphenyl-3-butenyl)nipecotic acid | N-(4,4-diphenyl-3-butenyl)nipecotic acid: structure given in first source | diarylmethane | |
| triflusulfuron-methyl | triflusulfuron-methyl : A methyl ester resulting from the formal condensation of the carboxy group of triflusulfuron with methanol. A proherbicide for triflusulfuron. triflusulfuron-methyl: structure in first source | 1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide |
| lopinavir | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor | |
| gamma-tocopherol | gamma-tocopherol : A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. gamma-Tocopherol: A natural tocopherol with less antioxidant activity than ALPHA-TOCOPHEROL. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in BETA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites. | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
| corynanthine | Corynanthine: A stereoisomer of yohimbine. | yohimban alkaloid | |
| totarol | totarol: structure given in first source; isolated from the bark of Podocarpus nagi | diterpenoid | metabolite |
| brexanolone | brexanolone : A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women. brexanolone: a mixture of allopregnanolone and sulfobutylether‐beta‐cyclodextrin for treatment of postpartum depression | 3-hydroxy-5alpha-pregnan-20-one | antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative |
| uvaol | uvaol: from Vauquelinia corymbosa (Rosaceae) | triterpenoid | metabolite |
| cycloadiphenine hydrochloride | |||
| malic acid, (r)-isomer | (R)-malic acid : An optically active form of malic acid having (R)-configuration. | malic acid | |
| 21-deoxycortisol | 21-deoxycortisol : A deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. 21-deoxycortisol: RN given refers to (11beta)-isomer; structure | 11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone | human blood serum metabolite; mouse metabolite |
| glycylleucine | Gly-Leu : A dipeptide composed of glycine and L-leucine joined by a peptide linkage. | dipeptide; dipeptide zwitterion | metabolite |
| dehydropregnenolone acetate | dehydropregnenolone acetate: structure | steroid ester | |
| 3,5-diiodothyronine, (l)-isomer | phenylalanine derivative | ||
| tetrabromophenolphthalein ethyl ester | tetrabromophenolphthalein ethyl ester: RN given refers to parent cpd | ||
| silomat | benzenes; organic amino compound | ||
| androstan-3-ol | 3-hydroxy steroid | androgen | |
| propicillin | propicillin: major descriptor (64-84); on-line search PENICILLIN, PHENOXYMETHYL/AA (64-84); Index Medicus search PROPICILLIN (64-84); RN given refers to parent cpd(2S-(2alpha,5alpha,6beta))-isomer | penicillin | |
| methyl lithocholate | methyl lithocholate: RN given refers to (3alpha,5beta)-isomer | ||
| estrone 3-methyl ether | estrone 3-methyl ether: RN given refers to cpd with unspecified isomeric designation; structure | ||
| msh release-inhibiting hormone | oligopeptide | ||
| e-250 | |||
| 5-methylcytidine | methylcytidine | ||
| alanyltyrosine | Ala-Tyr : A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage. alanyltyrosine: tyrosine source; RN given refers to (L)-isomer | dipeptide | metabolite |
| tolperisone hydrochloride | aromatic ketone | ||
| tyrphostin 8 | tyrphostin 8: a tyrosine kinase inhibitor (a tyrphostin) | phenols | |
| Mexicanin I | sesquiterpene lactone | ||
| catalposide | |||
| glycylsarcosine | glycylsarcosine : A dipeptide obtained by formal condensation of the carboxy group of glycine with the amino group of sarcosine. | dipeptide; dipeptide zwitterion | |
| xanthorrhizol | xanthorrhizol: structure in first source | sesquiterpenoid | |
| (6ar-trans)-isomer of tetrahydrocannabivarin 9 | |||
| phenylisopropyladenosine | aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound | adenosine A1 receptor agonist; neuroprotective agent | |
| acequinocyl | acequinocyl : An acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively. acequinocyl: structure in first source | 1,4-naphthoquinones; acetate ester | acaricide; mitochondrial cytochrome-bc1 complex inhibitor |
| fenpropimorph | alkylbenzene | ||
| n-(2-chloro-4-pyridyl)-n'-phenylurea | forchlorfenuron : A member of the class of phenylureas that is urea substituted by a phenyl group and a 2-chloropyridin-4-yl group at positions 1 and 3 respectively. It is a plant growth regulator widely used in agriculture for improving fruit quality and fruit size. | monochloropyridine; phenylureas | plant growth regulator |
| levcromakalim | 1-benzopyran | ||
| novaluron | novaluron: insecticide | aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound | |
| 1-(2-thiazolylazo)-2-naphthol | 1-(2-thiazolylazo)-2-naphthol: used to locate cadmium not bound to metallothionein | ||
| dimethacrine | dimethacrine: minor descriptor (75-84); on-line & Index Medicus search ACRIDINES (75-84); RN given refers to parent cpd without isomeric designation | acridines | |
| 5,6-dihydrouridine | dihydrouridine : The uridine derivative obtained by formal hydrogenation of the endocyclic double bond in the uracil ring. | uridines | biomarker |
| cortisol octanoate | corticosteroid hormone | ||
| coumarin 7 | coumarin 7: structure in first source | ||
| bnps-skatole | BNPS-skatole : A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group. It is used particularly for the selective cleavage of tryptophanyl peptide bonds (cleavage occurs at peptide bonds after amino acids with available C(gamma)=C(delta) double bonds such as tryptophan, tyrosine, and histidine). | aryl sulfide; bromoindole; C-nitro compound | reagent |
| dehydroabietic acid | dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
| methylene bis(methylanthranilate) | methylene bis(methylanthranilate): structure | diarylmethane | |
| 5-Methoxyflavone | 5-methoxyflavone: DNA polymerase-beta inhibitor and neuroprotective agent against beta-amyloid toxicity; structure in first source | ether; flavonoids | |
| fla 797 | |||
| diprotin a | peptide | ||
| efuamide | efuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source | ||
| diffractaic acid | difractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first source | carbonyl compound | |
| ska-31 | |||
| 1-phenazinecarboxylic acid | 1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | aromatic carboxylic acid; monocarboxylic acid; phenazines | antifungal agent; antimicrobial agent; bacterial metabolite |
| osajin | osajin: from Maclura pomifera | isoflavanones | |
| 2,2',4,4'-tetrabromodiphenyl ether | aromatic ether; organobromine compound | ||
| methyl methanethiosulfinate | methyl methanethiosulfinate: structure in first source; a metabolite of S-methyl cysteine sulfoxide | sulfur oxoacid derivative | |
| anisoin | |||
| hydrobenzoin | hydrobenzoin: structure in first source | ethanediol | |
| mmv665852 | MMV665852: an antischistosomal agent | ||
| benzo(b)thiophene-2-carboxylic acid | benzo(b)thiophene-2-carboxylic acid: for prevention of osteoporosis; structure given in first source | ||
| sym 2081 | |||
| 4-n-butylaminobenzoic acid | 4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group. 4-n-butylaminobenzoic acid: degradation product of tetracaine | aromatic amino acid | |
| 1,3,4,10-Tetrahydro-9(2H)-acridinone | acridines | ||
| 4',5,6,7-tetramethoxyflavone | 4',5,6,7-tetramethoxyflavone : A tetramethoxyflavone that is the tetra-O-methyl derivative of scutellarein. 4',5,6,7-tetramethoxyflavone: structure given in first source; from plant Eupatorium odoratum | tetramethoxyflavone | antimutagen; plant metabolite |
| imidazoleacetic acid | imidazol-4-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group. imidazol-5-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. imidazoleacetic acid: RN given refers to cpd without specific location of acetic acid attachment identified; structure | imidazoles; monocarboxylic acid | metabolite; mouse metabolite |
| gardenin b | gardenin B : A tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. gardenin B: has antineoplastic activity; structure in first source | monohydroxyflavone; tetramethoxyflavone | plant metabolite |
| 6,7-dichloroquinoline-5,8-dione | 6,7-dichloro-5,8-quinolinedione: structure in first source | ||
| 6-amino-7-chloro-5,8-dioxoquinoline | 6-amino-7-chloro-5,8-dioxoquinoline: quinone structure important in this cpd; structure | ||
| girinimbine | girinimbine: carbazole alkaloid | carbazoles | metabolite |
| 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol | 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'. | dichlorobenzene; hydroxybiphenyls | |
| quercetin 5,7,3',4'-tetramethyl ether | quercetin 5,7,3',4'-tetramethyl ether : A tetramethoxyflavone that is the 5,7,3',4'-tetramethy-derivative of quercetin. | flavonols; tetramethoxyflavone | plant metabolite |
| 5-iodotubercidin | 7-iodotubercidin: inhibits Toxoplasma gondii adenosine kinase | organoiodine compound | |
| 3,5,7,3',4'-pentamethoxyflavone | 3,5,7,3',4'-pentamethoxyflavone: causes relaxation of cavernosum; structure in first source | ||
| glycylaspartic acid | glycylaspartic acid: RN given refers to (L)-isomer | dipeptide | metabolite |
| n-benzoyl-l-arginine | N-benzoyl-L-arginine : An N-acyl-L-arginine that is L-arginine in which one of the hydrogens attached to the alpha-amino group has been replaced by a benzoyl group. N-benzoyl-L-arginine: RM given refers to (l)-isomer; structure | benzamides; N-acyl-L-arginine | |
| 4-hydroxybenzylamine | 4-hydroxybenzylamine: RN given refers to parent cpd | aromatic amine | |
| 1-(4-chlorophenyl)piperazine | 1-(4-chlorophenyl)piperazine: increases serotonin & decreases 5-hydroxyindoleacetic acid concentration in rat brain 6 hours after administration; RN given refers to parent cpd | ||
| hexylglutathione | S-hexylglutathione : An S-substituted glutathione that is glutathione in which the hydrogen of the thiol has been replaced by a hexyl group (PDB entry: 1PN9). | S-substituted glutathione | |
| s-(4-bromobenzyl)glutathione | S-(4-bromobenzyl)glutathione: inhibits glyoxalase I; cleaved in extracellular medium by gamma-glutamyl transferase | ||
| 3-aminopropylphosphonic acid | (3-aminopropyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 3-aminopropyl group. It is a partial agonist of GABAB receptors. 3-aminopropylphosphonic acid: RN given refers to parent cpd; structure | phosphonic acids; primary amino compound; zwitterion | GABAB receptor agonist |
| adenosine-5'-carboxylic acid | purine nucleoside | ||
| oxoglaucine | 1,2,9,10-tetramethoxy-7H-dibenzo(de,g)quinolin-7-one: a phosphatidylinositol 3-kinase p110alpha inhibitor that reactivates latent HIV-1; structure in first source | isoquinoline alkaloid | |
| hydroxybenzindazole | hydroxybenzindazole: structure | ||
| adenosine 5'-carboxamide | adenosine 5'-carboxamide: structure | ||
| n-(2-methoxyphenyl)maleimide | N-(2-methoxyphenyl)maleimide: structure given in first source | ||
| 6-methoxyflavanone | 6-methoxyflavanone: structure in first source | ||
| 5-benzyloxytryptophan | |||
| isopentaquine | |||
| 1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine | 1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine: structure given in first source | ||
| 1,2,3,4-tetrahydro-1-(phenylmethyl)isoquinoline | 1,2,3,4-tetrahydro-1-(phenylmethyl)isoquinoline: structure given in first source | benzyltetrahydroisoquinoline | |
| 3-methoxybenzamide | |||
| delta(9)-tetrahydrocannabinolic acid | Delta(9)-tetrahydrocannabinolic acid : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant. | benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide | anti-inflammatory agent; biomarker; metabolite; neuroprotective agent |
| 2-(4-bromo-2,5-dimethoxyphenyl)ethylamine | 2-(4-bromo-2,5-dimethoxyphenyl)ethylamine: behaves as a partial agonist toward both alpha1-adrenergic & 5-HT(2) serotonergic receptors 2,5-dimethoxy-4-bromophenethylamine : A 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl. | 2-arylethylamine | |
| 5'-n-methylcarboxamideadenosine | 5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer | ||
| allocryptopine | aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound | ||
| phellopterin | phellopterin: a naturally occurring furanocoumarin found in roots of Angelica dahurica; structure in first source | psoralens | |
| 3-[3-(trifluoromethyl)phenyl]-1-methylurea | a 1-methyl-3-phenylurea | ||
| 4-hydroxyantipyrine | 4-hydroxyantipyrine: metabolite of antipyrine; structure in third source | pyrazoles; ring assembly | |
| quindoline | quindoline: a fused indole-quinoline alkaloid from CRYPTOLEPIS sanguinolenta; structure | ||
| 3,7-dimethyl-1-propargylxanthine | 3,7-dimethyl-1-propargylxanthine: potent & selective in vivo antagonist of adenosine analogs | ||
| Lup-20(29)-en-28-al, 3beta-hydroxy- | triterpenoid | ||
| zpck | ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | ||
| anthraglycoside b | anthraglycoside B: from Polygonum cuspidatum Sieb. et Zucc; structure in first source | dihydroxyanthraquinone | |
| 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione | 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source | ||
| 4-methoxydalbergione | 4-methoxydalbergione: causes dermititis; RN given refers to cpd without isomeric designation | ||
| pyrimidin-2-one beta-ribofuranoside | pyrimidin-2-one beta-ribofuranoside: RN given refers to (D)-isomer; structure | pyrimidine ribonucleosides | |
| n-benzyloxycarbonylphenylalanyl-valine | |||
| loliolide | loliolide: RN given refers to (6S-cis)-isomer | benzofurans | metabolite |
| l 10503 | |||
| difenpiramide | biphenyls; monocarboxylic acid amide; pyridines | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
| arctiin | arctiin: from fruits of Arctium lappa L; RN given refers to (3R-trans)-isomer; RN for cpd without isomeric designation not avail 12/92 | glycoside; lignan | |
| 2,6-dihydroxy-3-cyanopyridine | 2,6-dihydroxy-3-cyanopyridine: inhibitor of 5-fluorouracil degradation | ||
| 5,4'-dihydroxy-3,6,7,8,3'-pentamethoxyflavone | 5,4'-dihydroxy-3,6,7,8,3'-pentamethoxyflavone: a flavonol isolated from Polanisia dodecandra; structure given in first source | ||
| benzo(g)isoquinoline-5,10-dione | benzo(g)isoquinoline-5,10-dione: insect teratogen | ||
| s-adenosyl-3-thio-1,8-diaminooctane | S-adenosyl-3-thio-1,8-diaminooctane: structure given in first source | ||
| effusol | effusol: from the pith of Juncus effusus L.; structure in first source | ||
| 2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one | |||
| histidinoalanine | histidinoalanine: cross-linking amino acid in calcified tissue collagen; RN given refers to (L)-isomer | dipeptide; dipeptide zwitterion | metabolite |
| n(6)-phenyladenosine | purine nucleoside | ||
| 2'-fluoro-2'-deoxycytidine | |||
| moxifloxacin hydrochloride | moxifloxacin hydrochloride : A hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride. | hydrochloride | antibacterial drug |
| 3'-uridylic acid | 3'-UMP : A pyrimidine ribonucleoside 3'-monophosphate having uracil as the nucleobase. 3'-uridylic acid: structure in first source; main heading URIDINE MONOPHOSPHATE refers to 5'-uridylic acid | pyrimidine ribonucleoside 3'-monophosphate; uridine phosphate | Escherichia coli metabolite |
| episesamin | 1-asarinine: structure; might this actually be asarinin?(sb) | ||
| lobeline | (-)-lobeline : An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position. | aromatic ketone; piperidine alkaloid; tertiary amine | nicotinic acetylcholine receptor agonist |
| erythrodiol | diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol | plant metabolite | |
| tetrahydrodeoxycorticosterone | tetrahydrodeoxycorticosterone: RN given refers to (3alpha,5beta)-isomer | 21-hydroxy steroid | |
| Meprylcaine hydrochloride | benzoate ester | ||
| 16-hydroxydehydroepiandrosterone | 16-hydroxydehydroepiandrosterone: RN refers to (3beta,16alpha)-isomer | 16alpha-hydroxy steroid; 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid; secondary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| n-methyladenosine | N-methyladenosine: is a inhibitor of cell differentiation N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase. | methyladenosine | |
| 2,3-bis(4-hydroxyphenyl)-propionitrile | 2,3-bis(4-hydroxyphenyl)-propionitrile: a selective estrogen receptor beta agonist or modulator. also called DPN compound 2,3-bis(4-hydroxyphenyl)propionitrile : A nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta). | nitrile; phenols | estrogen receptor agonist |
| alexidine dihydrchloride | |||
| hedione | lipid | ||
| 4'-methoxyflavanone | 4'-methoxyflavanone : The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position. | 4'-methoxyflavanones | |
| fulvestrant | fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer. | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
| 1-amino-1,3-dicarboxycyclopentane | 1-amino-1,3-dicarboxycyclopentane: RN given refers to (cis)-isomer | ||
| ici 164384 | ICI 164384: structure given in first source ICI-164384 : A 3-hydroxy steroid that is 17beta-estradiol substituted by a 11-[butyl(methyl)amino]-11-oxoundecyl group at position 7R. It is a steroidal antioestrogen that inhibits the cell proliferation of breast-carcinoma cell lines. | 17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
| u 73122 | 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione: structure given in first source U-73122 : An aza-steroid that is 3-O-methyl-17beta-estradiol in which the 17beta-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C. | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
| arginyl-glycyl-aspartic acid | arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system | oligopeptide | |
| sn 38 | SN-38 : A member of the class of pyranoindolizinoquinolines that is (4S)-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione bearing two additional ethyl substituents at positions 4 and 11 as well as two additional hydroxy substituents at positions 4 and 9. It is the active metabolite of irinotecan and is ~1000 times more active than irinotecan itself. | delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol | antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| alphaxalone | alphaxalone: RN given refers to (3alpha,5alpha)-isomer; structure | corticosteroid hormone | |
| rimonabant | |||
| sr141716 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist | |
| bosentan anhydrous | Bosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS. | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
| cp-55,940 | |||
| u 74006f | tirilazad: a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedox | corticosteroid hormone | |
| ecgonine methyl ester | ecgonine methyl ester : The O-debenzoyl analogue of cocaine. ecgonine methyl ester: major metabolite of cocaine; RN given refers to parent cpd (1R-(exo,exo))-isomer | methyl ester; tertiary amino compound; tropane alkaloid | analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug |
| way 100635 | |||
| vanoxerine | vanoxerine dihydrochloride : A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration. | hydrochloride | dopamine uptake inhibitor |
| cyfluthrin | cyfluthrin : A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile. cyfluthrin: effective against mosquitoes | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester insecticide |
| ly 117018 | LY 117018 : A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group. LY 117018: from Eli Lilly; less estrogenic & more estrogen-antagonistic than tamoxifen & trioxifene in rats & mice; LY 139478 is the HCl salt of LY 117018; LY 139478 is an estrogen agonist; structure in first source; a raloxifene analog | 1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols | bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator |
| propidium iodide | organic iodide salt | ||
| methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate: structure given in first source | beta-carbolines | |
| paxilline | paxilline : An indole diterpene alkaloid with formula C27H33NO4 isolated from Penicillium paxilli. It is a potent inhibitor of large conductance Ca2(+)- and voltage-activated K(+) (BK)-type channels. paxilline: structure given in first source; RN given refers to (2R-(2alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-isomer | diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol | anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker |
| 4-hydroxy-2',4',6'-trichlorobiphenyl | 4-hydroxy-2',4',6'-trichlorobiphenyl: do not confuse with the tetrachlorinated compound, also known as 4-OH-TCB (see 4-OH-TCB (tetra)) | biphenyls; trichlorobenzene | |
| (3h)2-carbomethoxy-3-(4-fluorophenyl)tropane | (1R-(exo,exo))-3-(4-fluorophenyl)-8-methyl-8- azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester: RN given refers to (1R-(exo,exo))-isomer | ||
| beta-carboline-3-carboxylic acid ethyl ester | beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source | beta-carbolines | |
| tuamine sulfate | |||
| 3,3'-diiodothyronine | 3,3'-diiodothyronine: RN given refers to unlabeled cpd without isomeric designation | 3,3'-diiodothyronine; amino acid zwitterion | human metabolite |
| cv 3988 | CV 3988: platelet activating factor antagonist; structure given in first source | ||
| beta-carboline-3-carboxylic acid methyl ester | beta-carboline-3-carboxylic acid methyl ester: structure given in first source | beta-carbolines | |
| dihydroergocristine | dihydroergocristine : Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. Dihydroergocristine: A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule. | ergot alkaloid | adrenergic antagonist; vasodilator agent |
| indoxacarb | indoxacarb: oxadiazine insecticide; structure in first source insecticide : Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | methyl ester; organochlorine insecticide | voltage-gated sodium channel blocker |
| inositol-1,3,4,5-tetrakisphosphate | 1D-myo-inositol 1,3,4,5-tetrakisphosphate : A myo-inositol tetrakisphosphate having the four phosphates placed in the 1-, 3-, 4- and 5-positions. inositol-1,3,4,5-tetrakisphosphate: for cpd without numerical locants of phosphate groups, index INOSITOL PHOSPHATES | inositol phosphate | |
| methoctramine | methoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents. methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. methoctramine: structure given in first source | hydrochloride | muscarinic antagonist |
| arginyl-glycyl-aspartyl-serine | arginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets | ||
| 1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol | HU 211: structure given in first source; HU 211 is active & HU 210 is inactive as canibinoids; functional N-methyl-D-aspartate receptor blocker; RN given is for (6aS-trans)-isomer | ||
| gr 127935 | GR 127935 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration. GR 127935: a 5-HT 1D receptor antagonist | 1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine | |
| 6-hydroxydopa | 6-hydroxydopa: RN given refers to cpd without isomeric designation | non-proteinogenic alpha-amino acid | |
| tryptoline | tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure | beta-carbolines | |
| dihydrokainate | dicarboxylic acid | ||
| sr 95531 | methoxybenzenes | ||
| epicatechin gallate | (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
| bretazenil | bretazenil: RN given for (S) isomer | ||
| 5-hydroxypropafenone | phenols | ||
| ecopipam | ecopipam: structure given in first source | benzazepine | |
| deguelin | deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
| cl 218872 | CL 218872: shows specific action on benzodiazepine receptors; structure | pyridazines; ring assembly | |
| betaxolol hydrochloride | betaxolol hydrochloride : The hydrochloride salt of betaxolol. | hydrochloride | antihypertensive agent; beta-adrenergic antagonist |
| triptolide | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite | |
| 6-chloro-2-(1-piperazinyl)pyrazine | N-arylpiperazine | ||
| quinaprilat | quinaprilat : A dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril. quinaprilat: metabolite of quinapril | dicarboxylic acid; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
| 3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide | 3-iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide: a dopamine receptor imaging agent; RN refers to (S)-isomer; RN & structure given in first source | ||
| ramosetron | indoles | ||
| Zearalanone | macrolide; resorcinols | ||
| 5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indole | indoles | ||
| sepimostate mesilate | sepimostate mesilate: used in therapy of pancreatitis; structure given in first source | ||
| nimbin | nimbin : A limonoid found in Azadirachta indica. nimbin: from Neem seed (Azadirachta indica) | acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid | pesticide; plant metabolite |
| parthenolide | germacranolide | ||
| tesmilifene | diarylmethane | ||
| sphondin | sphondin: from Heracleum laciniatum; cause of phototoxicity in patient with vitiligo | furanocoumarin | |
| schizandrin b | schizandrin B: a phytogenic antineoplastic agent with anti-inflammatory activity; isolated from Schisandra plant | ||
| tamibarotene | tamibarotene : A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine. tamibarotene: has retinoid-binding activity | dicarboxylic acid monoamide; retinoid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
| ecteinascidin 743 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite | |
| zacopride | benzamides | ||
| tadalafil | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent | |
| 10-hydroxycarbamazepine | 10,11-dihydro-10-hydroxycarbamazepine: main metabolite of oxcarbazepine; structure given in first source licarbazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine, reduced across the C-10,11 positions and carrying a carbamoyl substituent at the azepine nitrogen and a hydroxy function at C-10. A voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects, it is related to oxcarbazepine and is an active metabolite of oxcarbazepine. | carboxamide; dibenzoazepine; ureas | anticonvulsant; drug allergen; sodium channel blocker |
| territrem b | territrem B: tremorgenic mycotoxin from Aspergillus terreus; RN given refers to (4aR-(4aalpha,6abeta,12aalpha,12bbeta))-isomer | ||
| 6-phenylhexyl isothiocyanate | |||
| 3',4'-dichlorobenzamil | 3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heart | guanidines; pyrazines | |
| higenamine | higenamine: structure; RN given refers to (+-)-isomer | norcoclaurine | |
| ro 15-3505 | |||
| tanshinone | tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | abietane diterpenoid | anticoronaviral agent |
| cinnabarinic acid | cinnabarinic acid: structure | phenoxazine | |
| 1-(carboxymethylthio)tetradecane | 1-(carboxymethylthio)tetradecane: structure given in first source; alkylthio acetic acid, non-beta-oxidizable | straight-chain fatty acid | |
| gastrodin | gastrodin: the glucoside of 4-hydroxybenzyl alcohol (gastrodigenin); isolated from Gastrodia elata Blume; | glycoside | |
| pd 128907 | |||
| 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine | 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine: cyclic methadone metabolite; RN given refers to parent cpd; structure | ||
| zk 93426 | ZK 93426: GABA-A receptor antag | beta-carbolines | |
| olprinone | organic molecular entity | ||
| paliperidone | 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one : A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2. paliperidone : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone. Paliperidone is the primary active metabolite of the older antipsychotic risperidone and is used for treatment of schizophrenia. | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
| glycolithocholic acid | glycolithocholic acid : The glycine conjugate of lithocholic acid. glycolithocholic acid: RN given refers to (3alpha,5beta)-isomer | bile acid glycine conjugate; N-acylglycine | |
| 4'-hydroxydiclofenac | 4'-hydroxydiclofenac : A monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac. 4'-hydroxydiclofenac: metabolite of diclofenac; structure in first source | dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound | allergen; drug metabolite |
| cubebin | (-)-cubebin : A lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities. cubebin: structure in first source | benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol | analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug |
| levobupivacaine hydrochloride | levobupivacaine hydrochloride (anhydrous) : The monohydrochloride salt of levobupivacaine. | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
| n-(phenylthio)-epsilon-caprolactam | N-(phenylthio)-epsilon-caprolactam: used as promoter for activation of thioglycosides; structure in first source | ||
| marimastat | marimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide. marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
| asiatic acid | monocarboxylic acid; pentacyclic triterpenoid; triol | angiogenesis modulating agent; metabolite | |
| 7-methoxytacrine | |||
| 3-n-methylspiperone | 3-N-methylspiperone: (11(C))-labeled cpd used in positron tomography; dopamine agonist & dopamine receptor ligand; structure given in first source | aromatic ketone | |
| efonidipine | 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate : A carboxylic ester resulting from the formal condensation of the carboxy group of 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid with the hydroxy group of 2-[benzyl(phenyl)amino]ethanol. efonidipine : A racemate comprising of equimolar amounts of (R)- and (S)-efonidipine. It is a antihypertensive drug and a dual T-type and L-type calcium channel blocker. | C-nitro compound; carboxylic ester; dihydropyridine; tertiary amino compound | |
| 4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine | 4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine: PAF antagonist | ||
| clofarabine | adenosines; organofluorine compound | antimetabolite; antineoplastic agent | |
| sr 48692 | SR 48692: structure in first source; a neurotensin receptor-1 antagonist | N-acyl-amino acid | |
| 1-o-hexyl-2,3,5-trimethylhydroquinone | |||
| eseroline | eseroline : A pyrroloindole that is 1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole substituted by methyl groups at positions 1, 3a and 8 and a hydroxy group at position 5. It is a metabolite of physostigmine and causes neuronal cell death by a mechanism involving loss of cell ATP. eseroline: RN given refers to (3aS-cis)-isomer; structure | phenols; pyrroloindole | human xenobiotic metabolite; opioid analgesic |
| roemerine | roemerine: from root tubers of Stephania kwangsiensis H.S. Lo; RN given refers to (R)-isomer; synonym aporeine refers to (S)-isomer; structure in Merck Index, 9th ed, #779 | isoquinoline alkaloid | |
| 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol: structure in first source | piperidines | |
| elacridar | Elacridar: inhibitor of MDR1 PROTEIN; structure given in first source | ||
| gr 113808 | GR 113808 : An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide. GR 113808: structure given in first source; a 5-HT(4) receptor antagonist: GR 125487 is the HCl salt | indolyl carboxylate ester; piperidines; sulfonamide | serotonergic antagonist |
| s-(2-benzothiazolyl)cysteine | S-(2-benzothiazolyl)cysteine: RN given refers to (L)-isomer; structure given in first source | ||
| anhydroecgonine methyl ester | anhydroecgonine methyl ester: structure given in first source | N-alkylpyrrolidine | |
| pramipexole | pramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively. Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME. | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
| jstx-3 | JSTX-3: structure in first source | N-acyl-amino acid | |
| mosapride | 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-amino-5-chloro-2-ethoxybenzoic acid with the amino group of 1-[4-(4-fluorobenzyl)morpholin-2-yl]methanamine. | aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound | |
| ru 39411 | RU 39411: inhibits tamoxifen-stimulated growth of an MCF-7 tumor variant; structure given in first source | ||
| 3-phenyl-1H-pyrazole-5-carboxylic acid | pyrazoles; ring assembly | ||
| razadyne | Razadyne: Name of the FDA approved preparation from J&J. | ||
| emeriamine | emeriamine: derived from fungal metabolite emericedin; structure given in first source | ||
| 293b cpd | 6-cyano-4-(N-ethylsulfonyl-N-methylamino)-3-hydroxy-2,2-dimethylchromane: RN given for (trans-(+-))-isomer | 1-benzopyran | |
| sb 204070a | SB 204070A: structure given in first source; a selective 5-HT(4) receptor antagonist | ||
| sb 204070a | |||
| zk 93423 | beta-carbolines | ||
| formylmethionyl-leucyl-phenylalanine methyl ester | peptide | ||
| desethylamodiaquine | desethylamodiaquine: metabolite of amodiaquine | ||
| bw a1433u | BW A1433U: adenosine A3 receptor antagonist; attenuates hypoxia-induced AH interval prolongation; derivative of 1,3-dipropyl-8-phenylxanthine | ||
| sr 27897 | SR 27897: structure given in first source; a CCK(A) receptor antagonist | indolyl carboxylic acid | |
| zoxamide | 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3,5-dichloro-4-methylbenzamide with the amino group of 3-amino-1-chloro-3-methylpentan-2-one. zoxamide : A racemate comprising equimolar amounts of (R)- and (S)-zoxamide. A fungicide used for the control of various fungal infections including blight in potatoes and tomatoes. zoxamide: no further info available 4/02 | alpha-chloroketone; benzamides; dichlorobenzene | |
| lomerizine dihydrochloride | |||
| 2-(n,n-dimethylamino)-6,7-dihydroxytetralin | |||
| 2-(n,n-dipropyl)amino-5,6-dihydroxytetralin | 2-(N,N-dipropyl)amino-5,6-dihydroxytetralin: RN given refers to parent cpd without isomeric designation | ||
| uh 301 | UH 301: structure given in first source | ||
| argiotoxin-636 | argiotoxin-636: from the venom of Argiope aurantia; blocks neuromuscular transmission in insects; structure in first source. | N-acyl-amino acid | |
| sk&f 104078 | benzazepine | ||
| a 68930 | A 68930: D-1 dopamine receptor agonist | 2-benzopyran | |
| pd 128042 | PD 128042: structure given in first source | anilide | |
| aj 76 | (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin : A secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively). 5-methoxy-1-methyl-2-(n-propylamino)tetralin: RN given refers to cis-(+)-isomer; structure given in first source | secondary amino compound; tetralins | dopaminergic antagonist |
| 2-acetamido-1,5-imino-1,2,5-trideoxy-d-glucitol | 2-acetamido-1,5-imino-1,2,5-trideoxy-D-glucitol: structure given in first source | ||
| gossylic nitrile-1,1'-diacetate | gossylic nitrile-1,1'-diacetate: inhibits human immunodeficiency virus Type I replication; structure given in first source | ||
| celastrol | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite | |
| phacidin | phacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria | ||
| procyanidin b2 | procyanidin B2 : A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
| 4'-demethylepipodophyllotoxin | 4'-demethylepipodophyllotoxin : An organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin. 4'-demethylepipodophyllotoxin: structure in first source | furonaphthodioxole; organic heterotetracyclic compound; phenols | antineoplastic agent |
| profenamine hydrochloride | profenamine hydrochloride : The monohydrochloride salt of profenamine. An antimuscarinic, it is used for the symptomatic treatment of Parkinson's disease. | hydrochloride | adrenergic antagonist; antiparkinson drug; histamine antagonist; muscarinic antagonist |
| betulonic acid | betulonic acid: isolated from Rush javanica; strucure in first source | triterpenoid | anticoronaviral agent |
| aromadedrin | (+)-dihydrokaempferol : A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. aromadedrin: inhibits protein kinase C; the dihydro makes it a flavone rather than a flavonol | 4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone | metabolite |
| cyclic-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine | cyclic-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine: prodrug for HPMPC; specific name and structure not given in first source | ||
| n-(4-bromophenyl)maleimide | N-(4-bromophenyl)maleimide: structure given in first source | ||
| 1,3-indandione | 1,2-indanedione: use for detection of latent fingerprints on porous surfaces; structure in first source | ||
| levalbuterol | Levalbuterol: The R-isomer of albuterol. | albuterol | |
| tecastemizole | |||
| gefitinib | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | |
| n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | 3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
| ici 89406 | ICI 89406: RN given refers to parent cpd | ureas | |
| nnc 711 | NNC 711: structure in first source | ||
| 2-chloro-n(6)cyclopentyladenosine | 2-chloro-N(6)cyclopentyladenosine: highly selective agonist at A1 adenosine receptors | ||
| glycyl-arginyl-glycyl-aspartyl-serine | glycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells | ||
| dihydrotetrabenazine | dihydrotetrabenazine: RN given refers to cpd without isomeric designation | isoquinolines | |
| 3-(2,2,2-trimethylhydrazine)propionate | 3-(2,2,2-trimethylhydrazine)propionate: structural analog of gamma-butyrobetaine, also of carnitine; antianginal compound; MET-88 is dihydrate; structure given in first source meldonium : An ammonium betaine that is beta-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. A clinically used cardioprotective drug that is used for treatment of heart failure, myocardial infarction, arrhythmia, atherosclerosis and diabetes. | ammonium betaine | cardioprotective agent; EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor; neuroprotective agent |
| benzoylarginine ethyl ester | benzoylarginine ethyl ester: used as substrate for trypsin; RN given refers to parent cpd | ||
| 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide | 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide: a highly-selective, nonpeptide delta opioid receptor agonist; structure given in first source | diarylmethane | |
| vadimezan | vadimezan : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group. | monocarboxylic acid; xanthones | antineoplastic agent |
| 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid | 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid : A furoic acid that is furan-3-carboxylic acid substituted by a methyl group at position 4, a propyl group at position 5 and a 2-carboxyethyl group at position 2. It is a potent uremic toxin that has been found to accumulate in human serum of patients with chronic kidney diseases. 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid: structure in first source | dicarboxylic acid; furoic acid | human metabolite; uremic toxin |
| sk&f 86466 | benalfocin: RN & RR given from first source; RN not in Chemline 9/28/83; structure given in first source | benzazepine | |
| e 64 | E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-) | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
| cp 93129 | 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo(3,2-b)pyrid-5-one: serotonin agonist; structure given in first source | pyrrolopyridine | |
| 4-amino-n-(2,6-dimethylphenyl)phthalimide | 4-amino-N-(2,6-dimethylphenyl)phthalimide: a potent anticonvulsant against maximal electroshock-induced seizures; structure given in first source | ||
| glabridin | hydroxyisoflavans | antiplasmodial drug | |
| tetrahydrocurcumin | tetrahydrocurcumin : A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds. | beta-diketone; diarylheptanoid; polyphenol | metabolite |
| desloratadine | desloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. desloratadine: major metabolite of loratadine | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
| 1,2-hexanoylphosphatidylcholine | 1,2-hexanoylphosphatidylcholine: RN given refers to cpd without isomeric designation | ||
| iguratimod | iguratimod: an immunosuppressive agent | organic molecular entity | |
| 3-deazaguanosine | 3-deazaguanosine: structure | ||
| demethoxyviridin | demethoxyviridin: blocks phospholipase C & D activation in human neutrophils; RN from Toxlit | ||
| 3-ethoxy-beta-carboline | 3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties | ||
| c 1303 | C 1303: DNa-binding drug; structure given indicates that the cpd should be the dimethylamino cpd, but it is named as the diethylamino cpd | ||
| tert-butyl beta-carboline-3-carboxylate | tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist | ||
| 4-phenylbutyl isothiocyanate | 4-phenylbutyl isothiocyanate: structure given in first source; inhibits tumorigenesis induced by 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone | benzenes; organic amino compound | |
| w 7 | |||
| n(delta)-(phosphonoacetyl)-l-ornithine | |||
| desvenlafaxine | O-desmethylvenlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine. | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
| 2-amino-3-(3-(carboxymethoxy)-5-methylisoxazol-4-yl)propionic acid | 2-amino-3-(3-(carboxymethoxy)-5-methylisoxazol-4-yl)propionic acid: glutamate receptor antagonist; protects against kainic acid neurotoxicity in cultured cerebral cortex neurons | ||
| 4'-amino-6-hydroxyflavone | 4'-amino-6-hydroxyflavone: a p53/56(lyn) inhibitor; structure given in first source | flavones | |
| 5-(4-piperidyl)isoxazol-3-ol | 5-(4-piperidyl)isoxazol-3-ol: structure given in first source; a partial agonist at the GABA-A receptor on cultured hippocampal neurones; antagonizes muscimol-stimulated benzodiazepine binding to rat cortical membranes | piperidines | |
| blonanserin | organic molecular entity | ||
| n-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide | N-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide: fluorogenic substrate for post-proline cleaving enzyme | ||
| alteichin | alteichin: unusual phytotoxin from Alternaria eichorniae, fungal pathogen of water hyacinth; doubly hydrated form of 4,9-dihydroxyperylene-3,10-quinone | polyphenol | |
| adenosine amine congener | adenosine amine congener: a highly potent & selective adenosine A1 receptor agonist | ||
| przewaquinone d | przewaquinone D: isolated from root of Salvia przewalskii; structure given in first source; RN given refers to the trans- isomer, przewaquinone D | ||
| 8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine | 8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine: used to localize adenosine receptors in the brain | ||
| sk&f 104856 | SK&F 104856: structure given in first source | ||
| indatraline | indatraline: RN given for (trans)-isomer; structure in first source | indanes | |
| furamidine | furamidine: RN given refers to parent cpd; WR 199385 refers to di-HCl; pafuramidine is a prodrug of this | ||
| lestaurtinib | indolocarbazole | ||
| 5-fluorowillardiine | 3-(5-fluorouracil-1-yl)-L-alanine : An alanine derivative that is L-alanine bearing a 5-fluorouracil-1-yl substituent at position 3. A more potent and selective AMPA receptor agonist (at hGluR1 and hGluR2) than AMPA itself (Ki = 14.7, 25.1, and 1820 nM for hGluR1, hGluR2 and hGluR5 respectively). 5-fluorowillardiine: a glutamate agonist; RN given for (S)-isomer | L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound | AMPA receptor agonist |
| sn 23862 | 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide: RN & structure given in first source | ||
| gyki 53655 | GYKI 53655: an AMPA (alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate) receptor antagonist | ||
| sb 200646 | N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea: structure given in first source; a selective 5-HT(1C) receptor antagonist; SB-200646 is the HCl salt | indoles | |
| n-hydroxy-4-phosphonobutanamide | N-hydroxy-4-phosphonobutanamide: structure given in first source | ||
| methotrexate | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent | |
| sr 11237 | SR 11237: structure given in first source | ||
| vestra | |||
| 5,6-dihydroxy-1-(2-imidazolinyl)tetralin | 2-(5,6-dihydroxy-1,2,3,4-tetrahydro-1-naphthyl)imidazoline: structure given in first source; RN given refers to (R)-isomer; RN for compound without isomeric designation not available 8/88 | ||
| ro 14-7437 | Ro 14-7437: benzodiazepine antag; no other info available 8/16/83 | ||
| estrone-3-o-sulfamate | estrone-3-O-sulfamate: a steroid sulfatase inhibitor | ||
| 1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine | 1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine: RN refers to (R)-isomer; a dopamine autoreceptor agonist; structure given in first source | ||
| 11-hydroxy-n-(n-propyl)noraporphine | 11-hydroxy-N-(n-propyl)noraporphine: RN given refers to parent cpd without isomeric designation; (R)-isomer is a dopamine agonist; (S)-isomer is a dopamine antagonist | ||
| 3',6-dinitroflavone | |||
| 1,4-dideoxy-1,4-iminoarabinitol | 1,4-dideoxy-1,4-iminoarabinitol: RN given refers to (2S-(2alpha,3beta,4alpha))-isomer; structure given in first source | ||
| ly 293558 | tezampanel: structure given in first source; an AMPA receptor antagonist | ||
| 2-(3,4-dichlorophenyl)-n-methyl-n-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide | 2-(3,4-dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide: structure in first source; kappa opioid receptor antagonist | ||
| 7-bromoeudistomine d | 7-bromoeudistomine D: inducer of calcium release from fragmented sarcoplasmic reticulum | ||
| hx 600 | HX 600: structure given in first source | ||
| 1-(3-fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine | 1-(3-fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine: selective sigma-1 receptor ligand; structure in first source | ||
| n 0734 | N 0734: dopamine receptor agonist; structure given in first source | ||
| schisanhenol b | schisanhenol B: isolated from kernels of Schisandra rubriflora; structure given in first source | ||
| ne 58051 | NE 58051: inhibits tumor cell adhesion to extracellular matrices; structure in first source | ||
| 1-propylxanthine | 1-propylxanthine: structure given in first source | ||
| salvinorin a | salvinorin A: from the herb, Salvia divinorum | organic heterotricyclic compound; organooxygen compound | metabolite; oneirogen |
| n-(2-isobutyl-3-(n'-hydroxycarbonylamido)propanoyl)-o-methyltyrosinemethylamide | N-(2-isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide: RN given refers to the (S-(R*,S*))-isomer | ||
| 1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole | 1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source | ||
| 1,3-dipropyl-8-phenylxanthine | 1,3-dipropyl-8-phenylxanthine: selective antagonist at adenosine A1 receptors | oxopurine | |
| sk&f 89748 | SK&F 89748: RN given refers to (+-)-isomer & is given in first source; RN not in Chemline 9/28/83; structure given in first source | ||
| n-depropylpropafenone | N-depropylpropafenone: propafenone metabolite; structure given in first source | ||
| 3-(alpha,alpha-dimethylallyl)psoralen | 3-(alpha,alpha-dimethylallyl)psoralen: from oil from Ruta montana L.; structure | furanocoumarin | |
| alanylglutamic acid | alanylglutamic acid: RN given refers to (L)-isomer L-alanyl-L-glutamic acid : A dipeptide consisting of L-glutamic acid having an L-alanyl attached to its alpha-amino group | dipeptide | |
| delphinidin | delphinidin : An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium. delphinidin: RN given refers to parent cpd; | 5-hydroxyanthocyanidin | antineoplastic agent; biological pigment; plant metabolite |
| cyanidin | cyanidin cation : An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. cyanidin: RN given refers to parent cpd; structure | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
| 4-(3-chloroanilino)quinazoline | 4-(3-chloroanilino)quinazoline: structure given in first source | ||
| tamsulosin | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent | |
| rufinamide | rufinamide: for treatment of Lennox-Gastaut syndrome; structure in first source | aromatic amide; heteroarene | |
| cki 7 | N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I. N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source | isoquinolines; organochlorine compound; primary amino compound; sulfonamide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| (hydroxy-2-naphthalenylmethyl)phosphonic acid | (hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source | ||
| l 663581 | L 663581: structure given in first source; partial agonist at the benzodiazepine receptor | ||
| cgp 36742 | (3-aminopropyl)(n-butyl)phosphinic acid: interacts preferably with GABA-B RECEPTORS (IC50=38 μM) and GABA-C receptors (IC50=62 μM) over GABA-A RECEPTORS (IC50=508 μM) | ||
| sulbactam | penicillanic acids | ||
| omeprazole magnesium | esomeprazole magnesium : A magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome. | benzimidazoles; sulfoxide | |
| n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide | |||
| glycyl- arginyl-glycyl-aspartyl-seryl-prolyl-lysine | |||
| olmesartan medoxomil | Olmesartan Medoxomil: An ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to manage HYPERTENSION. | biphenyls | |
| ulipristal acetate | RTI 3021-012: progesterone receptor antagonist ulipristal acetate : A 20-oxo steroid obtained by acetylation of the 17-hydroxy group of (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-ol (ulipristal). A selective progesterone receptor modulator, which is employed as an emergency contraceptive. | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester; tertiary amino compound | contraceptive drug; progesterone receptor modulator; progestin |
| zk 119010 | ZK 119010: possess both antagonistic and agonistic potencies in MCF-7 cells | ||
| ym 529 | YM 529: inhibits osteoclastic bone resorption; structure given in first source | ||
| e 5880 | E 5880: platelet activating factor antagonist; RN given refers to chloride; RN for parent cpd not avail 2/92; structure given in first source | ||
| 3-propylamino-5-hydroxychroman | |||
| 2-(4-morpholinyl)-4h-1-benzopyran-4-one | 2-(4-morpholinyl)-4H-1-benzopyran-4-one: an aminochromone; exhibits both antiproliferative and antichemotactic activity in vitro | ||
| 4-chloro-2-(2-imidazolin-2-ylamino)isoindoline | 4-chloro-2-(2-imidazolin-2-ylamino)isoindoline: acts as partial agonist at the postsynaptic alpha-adrenoreceptors of the rat anococcygeus muscle & as antagonist at the presynaptic alpha-adrenoreceptors of the rat vas deferens | ||
| 8-(dicyclopropylmethyl)-1,3-dipropylxanthine | 8-(dicyclopropylmethyl)-1,3-dipropylxanthine: selective A1 adenosine receptor antagonist; structure given in first source | ||
| 5-(dipropylamino)-5,6-dihydro-4h-imidazo-(5,1ij)quinolin-2(1h)-one | 5-(dipropylamino)-5,6-dihydro-4H-imidazo-(5,1ij)quinolin-2(1H)-one: structure given in first source; U 86170F is the monohydrobromide hydrate | ||
| kfm 19 | KFM 19: a potential cognitive enhancer and a selective adenosine A1 receptor antagonist | ||
| safinamide | safinamide: short-acting inhibitor of MOA-B; FCE 26743 is (S)-isomer, FCE 28073 is (R)-isomer; structure in first source | amino acid amide | |
| sr 57227a | dialkylarylamine; tertiary amino compound | ||
| l 694247 | L 694247: a 5-HT(1D) receptor agonist; structure in first source | tryptamines | |
| cyclazosin | cyclazosin : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of furoic acid with the secondary amino group of 6,7-dimethoxy-2-[(4aR,8aS)-octahydroquinoxalin-1-yl]quinazolin-4-amine. cyclazosin: an alpha(1D)-adrenoceptor antagonist; structure given in first source; RN given for (cis)-isomer | aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative | adenosine A2A receptor antagonist |
| cp-166,572 | |||
| sc 53116 | SC 53116: serotonin agonist; pyrrolizidine cpd but not alkaloid; structure given in first source | ||
| ilomastat | CS 610: matrix metalloproteinase inhibitor; structure in first source ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
| d-arg-gly-asp-trp | arginyl-glycyl-aspartyl-tryptophan: a synthetic RGD-containing peptide | ||
| fk 633 | ((4-(4-amidinophenoxy)butanoyl)aspartyl)valine: structure given in first source | ||
| 3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | 3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist | ||
| l 733060 | 3-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine: RN given refers to (2S-cis)-isomer; L-733,061 is pharmacologically inactive; structure in first source | piperidines | |
| dc 015 | DC 015: a selective alpha1-adrenoceptor antagonist; structure given in first source | ||
| fr 120480 | FR 120480: cholecystokinin antagonist; structure given in first source | N-acyl-amino acid | |
| u-91356 | 5-propylamino-5,6-dihydro-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one: an imidazoquinolinone dopamine D2 agonist; structure given in first source | ||
| ru 58841 | |||
| ivabradine | ivabradine : A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure. Ivabradine: A benzazepine derivative and selective HYPERPOLARIZATION-ACTIVATED CYCLIC NUCLEOTIDE-GATED CHANNELS inhibitor that lowers the heart rate. It is used in the treatment of CHRONIC STABLE ANGINA in patients unable to take BETA-ADRENERGIC BLOCKERS, and in the treatment of HEART FAILURE. | aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound | cardiotonic drug |
| l 741742 | L 741742: selective toward D4 receptors; structure in first source | primary amine | |
| sonepiprazole | |||
| isoteolin | isoteolin: mixture of isomers isoboldine (RN 3019-51-0) & bracteoline (RN 25651-04-1) | aporphine alkaloid | |
| l 741626 | 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source | piperidines | |
| 10,11-methylenedioxy-n-propylnoraporphine | 10,11-methylenedioxy-N-propylnoraporphine: dopaminergic prodrug; RN given refers to parent cpd(d)-isomer | ||
| sk&f 89124 | SK&F 89124: structure given in first source | ||
| febuxostat | febuxostat : A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. Febuxostat: A thiazole derivative and inhibitor of XANTHINE OXIDASE that is used for the treatment of HYPERURICEMIA in patients with chronic GOUT. | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
| alpha-ergocryptine | alpha-ergocryptine : Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine. ergocryptine: a component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses; minor descriptor (76-86); on-line & INDEX MEDICUS search ERGOLINES (76-86); RN given refers to ((5'alpha)-isomer) | ergot alkaloid | |
| pomalidomide | 3-aminophthalimidoglutarimide: structure in first source | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
| sk&f 100330-a | SK&F 100330-A: structure given in first source | ||
| 3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | |||
| cd 437 | CD 437: selective for retinoic acid receptors gamma CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells. | adamantanes; monocarboxylic acid; naphthoic acid; phenols | apoptosis inducer; retinoic acid receptor gamma agonist |
| 6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid | 6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid: reverses keratinization process in hamster tracheal organ culture; inhibits induction of ornithine decarboxylase; structure & RN given in first source; RN not in Chemline 12/5/83 | ||
| 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone | 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone: has antineoplastic activity; structure in first source | ether; flavonoids | |
| 7,4'-Di-O-methyldaidzein | methoxyisoflavone | ||
| methaneboronic acid | |||
| 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane | secondary amino compound | ||
| sinensetin | sinensetin : A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively. sinensetin: isolated from citrus fruit; exhibit antiadhesive action on platelets | pentamethoxyflavone | plant metabolite |
| 3',4'-dihydroxyflavone | 3',4'-dihydroxyflavone: inhibitors of arachidonic acid peroxidation | ||
| proline | proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons. | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| d-glutamine | amino acid zwitterion; D-alpha-amino acid; glutamine | mouse metabolite | |
| 3-methoxyflavone | 3-methoxyflavone: from Aspergillus niger; structure in first source | ||
| 3-octylthio-1,1,1-trifluoro-2-propanone | 3-octylthio-1,1,1-trifluoro-2-propanone: a pesticide synergist; inhibits juvenile hormone esterase | ||
| 2-(1-octynyl)adenosine | YT 146: an adenosine receptor agonist; structure given in first source | ||
| pitrazepin | pitrazepin: effects are not tissue specific; induced a bursting discharge pattern in cultures derived from hippocampus & hypothalamus; structure given in first source | N-arylpiperazine | |
| amphethinile | amphethinile: structure given in first source | ||
| 2'-methoxyflavone | ether; flavonoids | ||
| escitalopram | escitalopram : A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. Escitalopram: S-enantiomer of CITALOPRAM. Belongs to a class of drugs known as SELECTIVE SEROTONIN REUPTAKE INHIBITORS, used to treat depression and generalized anxiety disorder. | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| lexapro | Lexapro: Trade name of escitalopram, the active S-enantiomer of the racemic citalopram. | ||
| phyllodulcin, (r)-isomer | phyllodulcin: RN given refers to cpd without isomeric designation; structure | hydroxybenzoic acid | |
| selenomethylselenocysteine | Se-methyl-L-selenocysteine : An L-alpha-amino acid compound having methylselanylmethyl as the side-chain. Se-methylselenocysteine : An alpha-amino acid compound having methylselanylmethyl as the side-chain. | amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine | antineoplastic agent |
| 6-methoxyflavone | 6-methoxyflavone: suppresses NFAT-mediated T cell activation; structure in first source | ether; flavonoids | |
| 1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone | benzodioxoles | ||
| sk&f-38393 | |||
| 10-propargyl-10-deazaaminopterin | 10-propargyl-10-deazaaminopterin: structure in first source pralatrexate : A pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma. | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| docetaxel | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent | |
| docetaxel anhydrous | docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER. | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
| 3,4-dihydro-5-methyl-1(2h)-isoquinolinone | 3,4-dihydro-5-methyl-1(2H)-isoquinolinone: structure given in first source | isoquinolines | |
| perifosine | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| bdp 12 | 1-(quinoxalin-6-ylcarbonyl)piperidine: modulates AMPA receptor desensitization ; an analog of 1-(1,3-benzodioxol-5-ylcarbonyl)piperidine | N-acylpiperidine | |
| atazanavir | atazanavir : A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV). | carbohydrazide | antiviral drug; HIV protease inhibitor |
| chs 828 | aromatic ether | ||
| ym 872 | YM 872: structure in first source | ||
| tariquidar | benzamides | ||
| nsc-141549 | |||
| rec 15-2739 | Rec 15-2739: an alpha-1 antagonist selective for the lower urinary tract; structure given in first source | ||
| 1,2-dioctanoylglycerol | 1,2-dioctanoyl-sn-glycerol : 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5. | 1,2-diacyl-sn-glycerol; dioctanoylglycerol | |
| levofloxacin | levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase. Levofloxacin: The L-isomer of Ofloxacin. | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
| benzoyl l-arginine methyl ester | benzoyl L-arginine methyl ester: RN given refers to (L-Arg)-isomer | ||
| n-methylserotonin | N-methylserotonin : A member of the class of tryptamines that is serotonin in which one of the hydrogens attached to the primary amino group is replaced by a methyl group. N-methylserotonin: RN given refers to parent cpd | phenols; tryptamines | human metabolite; plant metabolite |
| 3,3',4',5,6,7,8-heptamethoxyflavone | 3,3',4',5,6,7,8-heptamethoxyflavone: has anti-inflammatory activity; isolated from citrus fruit; exhibit antiadhesive action on platelets | ether; flavonoids | |
| 1-oxo-1,2,3,4-tetrahydroisoquinoline | 1-oxo-1,2,3,4-tetrahydroisoquinoline: structure given in first source | ||
| 4-hydroxyhippuric acid | p-hydroxyhippuric acid : An N-acylglycine that is the 4-hydroxy derivative of hippuric acid. | N-acylglycine | human blood serum metabolite |
| cilomilast | methoxybenzenes | ||
| cariporide | cariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source | ||
| mk 767 | 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide: an antihyperlipidemic agent that also functions as an insulin sensitizer, PPARalpha agonist, and PPARgamma agonist; structure in first source | ||
| ptk 787 | vatalanib succinate : A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. | succinate salt | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
| vatalanib | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist | |
| 1,1'-biphenyl-4-yl-boronic acid | |||
| 4'-chloroflavone | 4'-chloroflavone: structure given in first source | ||
| 4-methylthioamphetamine | 4-methylthioamphetamine: structure given in first source | ||
| 1-isoamyl-3-isobutylxanthine | |||
| 3-(1-methyl-1,2,3,6-tetrahydropyrid-4-yl)indole | 3-(1-methyl-1,2,3,6-tetrahydropyrid-4-yl)indole: structure given in first source | ||
| prolyl-tyrosine | Pro-Tyr : A dipeptide formed from L-proline and L-tyrosine residues. prolyl-tyrosine: structure given in first source | dipeptide | metabolite |
| 3,3',4,5'-tetrahydroxybibenzyl | 3,3',4,5'-tetrahydroxybibenzyl: from Cassia garrettiana; structure given in first source | ||
| moxifloxacin | moxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents. Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent. | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | antibacterial drug |
| pralnacasan | pralnacasan: NSAID, ICE inhibitor & metastasis inhibitor; RN & structure in first source | ||
| metsulfuron methyl | tribenuron methyl : The methyl ester of tribenuron. | methoxy-1,3,5-triazine; methyl ester; N-sulfonylurea | herbicide |
| borneo | Borneo: An island in the Malay Archipelago, east of Sumatra, north of Java, and west of Celebes. It is the third largest island in the world. Its name is a Portuguese alteration of BRUNEI, located on it. (From Webster's New Geographical Dictionary, 1988, p163; Room, Brewer's Dictionary of Names, 1992, p73) | organofluorine acaricide | |
| l 738167 | L 738167: structure in first source | ||
| ruboxistaurin | ruboxistaurin: inhibits protein kinase C beta; structure in first source | ||
| jtt 501 | JTT 501: an insulin sensitizer; structure in first source | ||
| solifenacin | isoquinolines | ||
| pumosetrag | Pumosetrag: a 5-HT3 receptor agonist MKC-733 on upper gastrointestinal motility in human | ||
| bazedoxifene | phenylindole | ||
| centchroman | Centchroman: A non-steroidal anti-fertility agent with anti-hormonal properties. | ||
| 1,4-dimethyl-6-nitro-9H-carbazole | carbazoles | ||
| testosterone decanoate | testosterone decanoate: ester of testosterone | steroid ester | |
| 4-methoxyhonokiol | 4-methoxyhonokiol: an NSAID isolated from Magnolia obovata; structure in first source | ||
| 2,2',4,4',5,5'-hexabrominated diphenyl ether | aromatic ether; organobromine compound | ||
| cyanopindolol | indoles | ||
| xamoterol | Xamoterol: A phenoxypropanolamine derivative that is a selective beta-1-adrenergic agonist. | morpholines | |
| desmethylastemizole | desmethylastemizole: astemizole metabolite in dog plasma; structure given in first source | benzimidazoles | |
| varespladib | aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor | |
| compound 20 | |||
| besonprodil | besonprodil: CI-1041 is also known as PD19680; NMDA receptor antagonist for treatment of Parkinson's disease; structure in first source | ||
| chloroethylnorapomorphine | chloroethylnorapomorphine: irreversible dopamine receptor antagonist; RN given refers to (R)-isomer; structure given in first source | ||
| naproxen | naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes. Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout. | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| canertinib dihydrochloride | |||
| canertinib | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
| cinacalcet hydrochloride | cinacalcet hydrochloride : A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride. Cinacalcet Hydrochloride: A naphthalene derivative and CALCIMIMETIC AGENT that increases the sensitivity of PARATHYROID GLAND calcium-sensing receptors to serum calcium. This action reduces parathyroid hormone secretion and decreases serum calcium in the treatment of PARATHYROID DISEASES. | hydrochloride | calcimimetic; P450 inhibitor |
| cinacalcet | cinacalcet : A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group. | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
| birb 796 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator | |
| nectandrin-b | nectandrin-B: antifungal lignan from the seeds of Myristica fragrans; structure in first source | ||
| barbigerone | barbigerone: an antioxidant; structure in first source | ||
| ertiprotafib | ertiprotafib: a hypoglycemic agent; structure in first source | ||
| epinastine hydrochloride | hydrochloride | ||
| ustiloxin d | ustiloxin D: an antimitotic cyclic peptide; from false smut balls on rice panicles caused by Ustilaginoidea virens; structure given in first source | oligopeptide | |
| lercanidipine hydrochloride | diarylmethane | ||
| lubazodone hydrochloride | lubazodone hydrochloride: structure given in first source | ||
| lubiprostone | |||
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | |||
| firemaster bp-6 | |||
| tecadenoson | tecadenoson: an A1 adenosine receptor agonist | ||
| camphora | (R)-camphor : The (R)- enantiomer of camphor. camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris | camphor | |
| telbivudine | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | |
| rhodioloside | glycoside | ||
| malvidin | malvidin : An anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3' and 5'. malvidin: RN given refers to parent cpd; coloring agent from flowers of Malvaviscus conzatti | 5-hydroxyanthocyanidin | biological pigment; metabolite |
| mdl 74156 | hydrodolasetron: active metabolite of dolasetron | ||
| celastrol methyl ester | celastrol methyl ester: isolated from Tripterygium wilfordii; potent inhibitory activity on both Kir2.1 and ERG1 potassium channels, leading to LONG QT SYNDROME | carboxylic ester | |
| didesipramine | didesipramine: metabolite of imipramine; RN given refers to parent cpd | dibenzoazepine | |
| 1-deazaadenosine | 1-deazaadenosine: inhibits nucleic acid & protein synthesis; structure given in first source | ||
| 4,8-dimethyl-5'-carboxypsoralen | 4,8-dimethyl-5'-carboxypsoralen: major metabolite of trioxsalen | ||
| sch 45752 | organic heterotricyclic compound; organooxygen compound | ||
| 5-propyl-2'-deoxyuridine | 5-propyl-2'-deoxyuridine: RN given refers to parent cpd | ||
| 2-chloroacetoacetanilide | 2-chloroacetoacetanilide: structure in first source | ||
| cryptotanshinone | cryptotanshinone: from Salvia miltiorrhiza | abietane diterpenoid | anticoronaviral agent |
| territrem c | territrem C: tremorgenic mycotoxin from Aspergillus terreus; MF C28-H32-O9; structure given in first source | ||
| cyc 202 | seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| 2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one | 2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one: structure in first source | ||
| Serotonin hydrochloride | tryptamines | ||
| n-phthaloylglutamic acid | N-phthaloyl-L-glutamic acid : A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group. | L-glutamic acid derivative; phthalimides | |
| 6-hydroxytryptamine | 6-hydroxytryptamine: RN given refers to parent cpd | ||
| harmalan | harmalan: structure given in first source | harmala alkaloid | |
| ar-turmerone | (+)-(S)-ar-turmerone : A sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. ar-turmerone: potent antivenom against snake bites; isolated form Curcuma longa; structure given in first source | enone; sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
| 3,5-diiodothyropropionic acid | 3,5-diiodothyropropionic acid : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)propanoic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxyphenyl group. An ionotropic analogue of L-thyroxine. 3,5-diiodothyropropionic acid: a cardiotonic thyroid hormone analog | aromatic ether; monocarboxylic acid; organoiodine compound; phenols | |
| phenylethyl isocyanate | 2-phenylethyl isocyanate : An isocyanate having a 2-phenylethyl group attached to the nitrogen. | isocyanates | hapten |
| 4-hydroxybenzyl isothiocyanate | 4-hydroxybenzyl isothiocyanate: found in white mustard; structure in first source | phenols | |
| 4'-demethyldesoxypodophyllotoxin | 4'-demethyldeoxypodophyllotoxin : A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group. 4'-demethyldesoxypodophyllotoxin: from the root of Bursera tonkinensis Guillaum; structure in first source | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols | antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite |
| testololactone | 3-oxo-Delta(4) steroid; seco-androstane; steroid lactone | ||
| chrysamine g | chrysamine G: structure given in first source; RN refers to disodium salt | ||
| epiberberine | epiberberine: isolated in plants of Coptis from China | ||
| sweroside | glycoside | ||
| 2-phenyl-4-oxohydroquinoline | 2-phenyl-4-oxohydroquinoline: structure given in first source | ||
| cloperastine hydrochloride | diarylmethane | ||
| 8-(4-benzenesulfonylamino)quinoline | 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | ||
| 6-n-tridecylsalicylic acid | 6-n-tridecylsalicylic acid: structure given in first source | hydroxybenzoic acid | |
| pyropheophorbide a | pyropheophorbide a: RN given refers to (3S-trans)-isomer | ||
| ampelopsin | (+)-dihydromyricetin : An optically active form of dihydromyricetin having (2R,3R)-configuration. ampelopsin: hepatoprotective agent; isolated from Hovenia dulcis; RN given for (2R-trans)-isomer; structure in first source | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
| fluoracizine | fluoracizine: Russian drug; 2-trifluoromethyl analog of chloracizine; RN given refers to parent cpd | phenothiazines | |
| corydalmine | corydalmine: antagonizes dopamine receptors; structure given in first source; RN given refers to (S)-isomer | ||
| withanolide d | withanolide D : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. withanolide D: structure | 20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide | antineoplastic agent |
| 1,3-dipropyl-7-methylxanthine | 1,3-dipropyl-7-methylxanthine: structure given in first source | ||
| tylophorinidine | tylophorinidine: antileukemic agent from T. indica | ||
| 2'-hydroxyflavone | 2'-hydroxyflavone: isolated from Daphnopsis sellowiana; structure given in first source | flavones | |
| dihydroguaiaretic acid | dihydroguaiaretic acid: lignan extracted form Larrea divaricata; inhibitory to beef heart mitochondrial succinoxidase & NADH-oxidase; RN given refers to cpd without isomeric designation | ||
| ag 3-5 | icilin: a cooling compound that activates TRPM8 | C-nitro compound | |
| 3-(n-acetyl-n-hydroxy)aminopropylphosphonic acid | 3-(N-acetyl-N-hydroxy)aminopropylphosphonic acid: from Streptomyces rubellomurinus sp. nov.; interferes with bacterial cell wall synthesis; structure in first source | phosphonoacetic acid | |
| 5-chloro-2-hydroxynicotinic acid | 5-chloro-2-hydroxynicotinic acid: structure given in first source | ||
| bioresmethrin | bioresmethrin: RN given refers to (1R-trans)-isomer; structure | furans; resmethrin | pyrethroid ester insecticide |
| 5'-o-dimethyltritylthymidine | |||
| asenapine | (S,S)-asenapine : A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have S configuration. asenapine : A racemate consisting of equal amounts of (R,R)- and (S,S)-asenapine. Used as its maleate salt for the acute treatment of schizophrenia and acute treatment of manic or mixed episodes associated with bipolar I disorder with or without psychotic features. | 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | |
| 2,4-dinitropyrimidinyl-2-thiophenol | |||
| sclareol | sclareol : A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. sclareol: structure given in first source | labdane diterpenoid | antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite |
| frenolicin b | frenolicin B: produced by Streptomyces roseofulvus strain AM 3867; structure | benzoisochromanequinone; p-quinones | metabolite |
| fasudil hydrochloride | fasudil hydrochloride : A hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid. | hydrochloride | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent |
| bw a522 | BW A522: blocks adenosine A3 receptor-mediated hypotensive responses in rats | ||
| 1-(2,6-dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane | |||
| y 23023 | pyridochromene | ||
| abanoquil | |||
| tinuvin 770 | Tinuvin 770: used as a light stabilizer for polyolefins; an L-type Ca2+ channel blocker; structure given in first source | ||
| sk&f 107260 | SK&F 107260: structure given in first source | ||
| 2-hexynyladenosine-5'-n-ethylcarboxamide | 2-hexynyladenosine-5'-N-ethylcarboxamide: adenosine receptor agonist | ||
| ustiloxin a | ustiloxin A: a modified peptide from the fungus Ustilaginoidea virens or false smut ball; structurally similar to phomopsin A; structure given in first source | ||
| Landiolol hydrochloride | morpholines | ||
| thymidine 5'-diphosphate | dTDP : A thymidine phosphate having a diphosphate group at the 5'-position. thymidine 5'-diphosphate: see also record for thymidine 3',5'-diphosphate, RN 2863-04-9 | pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
| tanshinone ii a | tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | abietane diterpenoid | |
| 5-fluorotryptamine | 5-fluorotryptamine: RN given refers to parent cpd | ||
| serine o-sulfate | L-serine O-sulfate : A non-proteinogenic L-alpha-amino acid that is the O-sulfo derivative of L-serine. serine O-sulfate: RN given refers to (L)-isomer | L-serine derivative; non-proteinogenic L-alpha-amino acid; O-sulfoamino acid | |
| 2-phenyl-1,2-benzisothiazol-3-(2h)-one | 2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen | ||
| chonemorphine | chonemorphine: a steroidal alkaloid; antiparasitic agent from Chonemorpha fragrans | ||
| 6-methylthiohexyl isothiocyanate | 1-isothiocyanato-6-(methylsulfanyl)hexane : A isothiocyanate that is hexane in which two of the terminal methyl hydrogens at positions 1 and 6 have been replaced by isothiocyanato and methylsulfanyl groups. 6-methylthiohexyl isothiocyanate: isolated from Wasabia japonica (wasabi) | isothiocyanate; methyl sulfide | antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent |
| cyclo(alanylalanyl) | |||
| diadenosine triphosphate | diadenosyl triphosphate | mouse metabolite | |
| ethacridine lactate | |||
| 4'-hydroxyflavanone | 4'-hydroxyflavanone: structure in first source 4'-hydroxyflavanones : Any hydroxyflavanone having a hydroxy substituent located at position 4'. | 4'-hydroxyflavanones; monohydroxyflavanone | |
| avasimibe | monoterpenoid | ||
| anacardic acid | anacardic acid : A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities. anacardic acid: isolated from Anacardium occidentale; monophenol monooxygenase inhibitor | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
| barbatic acid | barbatic acid: structure in first source | carbonyl compound | |
| n-n-propylnorapomorphine | aporphine alkaloid | ||
| 5-bromowillardiine | 5-bromowillardiine: acts as a kainate-like agonist on chick EAA receptors expressed in Xenopus oocytes; RN given refers to (S)-isomer; RN for cpd without isomeric designation not avail 5/91 | ||
| n-valyltryptophan | N-valyltryptophan: RN given refers to (L)-isomer | peptide | |
| 1,3-dipropylxanthine | 1,3-dipropylxanthine: has high affinity for adenosine receptors; structure given in first source | ||
| aminopterin | Aminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic. | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
| 8-hydroxy-delta(9)-tetrahydrocannabinol | 8-hydroxy-delta(9)-tetrahydrocannabinol: RN given refers to cpd without isomeric designation | ||
| n-demethyllysergic acid diethylamide | N-demethyllysergic acid diethylamide: RN given refers to (betaa)-isomer | ||
| n,n-di-n-propylserotonin | N,N-di-n-propylserotonin: structure given in first source | ||
| procyanidin C1 | procyanidin C1 : A proanthocyanidin consisting of three (-)-epicatechin units joined by two successive (4beta->8)-linkages. procyanidin trimer C1: a flavonoid found in multiple plant sources including grape, apple, and cacao, which has antioxidant and anti-inflammatory properties | hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite |
| 17 alpha-hydroxyprogesterone caproate | 17 alpha-Hydroxyprogesterone Caproate: Hydroxyprogesterone derivative that acts as a PROGESTIN and is used to reduce the risk of recurrent MISCARRIAGE and of PREMATURE BIRTH. It is also used in combination with ESTROGEN in the management of MENSTRUATION DISORDERS. | corticosteroid hormone | |
| 2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid | amino acid amide | ||
| farglitazar | farglitazar: a non-thiazolidinedione insulin sensitiser and PPARgamma agonist | ||
| 4(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine | 4(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine: metabolite of haloperidol; much less potent neuroleptic agent than haloperidol; structure in first source | aromatic ketone | |
| 5,6,7,8-tetrahydro-4h-isoxazolo(4,5-d)azepin-3-ol | 5,6,7,8-tetrahydro-4H-isoxazolo(4,5-d)azepin-3-ol: glycine antagonist; see also record for (4,5-c) cpd; RN given refers to parent cpd | ||
| carbobenzyloxyleucyl-tyrosine chloromethyl ketone | |||
| 5-hydroxy-2-n,n-dipropylaminotetralin | 5-hydroxy-2-N,N-dipropylaminotetralin: RN given refers to cpd without isomeric designation | ||
| abt 980 | |||
| methyl abietate | methyl abietate: RN given refers to (1R-(1alpha,4abeta,4balpha,10aalpha))-isomer | ||
| gr 144053 | GR 144053: structure given in first source | piperazines | |
| 1-(3-(4-chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine | 1-(3-(4-chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine: RN given refers to parent cpd | ||
| atropine | tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. | ||
| 1-(2-deoxy-2-fluoroarabinofuranosyl)-5-ethyluracil | 1-(2-deoxy-2-fluoroarabinofuranosyl)-5-ethyluracil: RN given refers to (beta-D)-isomer; structure given in first source | ||
| chrysomycin b | |||
| ly 97241 | LY 97241: clofilium analog; blocks heart potassium channels; structure given in first source | ||
| 12-bromododecanoic acid | 12-bromododecanoic acid : A bromo fatty acid consisting of lauric acid having a single bromo-substituent at the 12-position. | bromo fatty acid | |
| mesotrione | mesotrione : An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group. mesotrione: brandname is after the Callistemon (MYRTACEAE) plant it was found in; structure in first source | aromatic ketone; beta-triketone; C-nitro compound; sulfone | carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic |
| sb 203580 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent | |
| nbi 27914 | dialkylarylamine; tertiary amino compound | ||
| sb 216763 | indoles; maleimides | ||
| enzastaurin | indoles; maleimides | ||
| zm 241385 | ZM 241385: a high affinity radioligand selective for the A2a adenosine receptor | diamino-1,3,5-triazine | |
| sch 58261 | triazolopyrimidines | ||
| erlotinib | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | |
| erlotinib hydrochloride | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor | |
| cilengitide | Cilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cells | oligopeptide | |
| corynoline | corynoline : A benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. | benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol | antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite |
| roxifiban | roxifiban: structure in first source | ||
| xv 459 | XV 459: structure in first source | ||
| piboserod | Serotonin 5-HT4 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT4 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN RECEPTOR AGONISTS. | ||
| l 767679 | L 767679: structure in first source | ||
| homocysteic acid | homocysteic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group has benn oxidised to the corresponding sulfonic acid. homocysteic acid: promotes growth in hypophysectomized rats; RN given refers to parent cpd L-homocysteic acid : A homocysteic acid with L-configuration. | homocysteic acid | NMDA receptor agonist |
| l 734217 | L 734217: fibrinogen receptor antagonist; structure given in first source | ||
| spirodiclofen | spirodiclofen: an acaricide | dichlorobenzene; gamma-lactone; organochlorine acaricide; oxaspiro compound | |
| jtp 4819 | JTP 4819: a prolyl endopeptidase inhibitor; structure given in first source | ||
| orbofiban | orbofiban: structure in first source | ||
| ly 353381 | LY 353381: structure in first source | ||
| eslicarbazepine acetate | eslicarbazepine acetate : The acetate ester, with S configuration, of licarbazepine. An anticonvulsant, it is approved for use in Europe and the United States as an adjunctive therapy for epilepsy. | acetate ester; carboxamide; dibenzoazepine; ureas | anticonvulsant; drug allergen |
| 2-amino-4-phosphonobutyric acid | (2S)-2-amino-4-phosphonobutanoic acid : A non-proteinogenc L-alpha-amino acid that is L-alpha-aminobutyric acid in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. It is a potent and selective agonist for the group III metabotropic glutamate receptors (mGluR4/6/7/8). | non-proteinogenic L-alpha-amino acid; phosphonic acids | metabotropic glutamate receptor agonist |
| dizocilpine | secondary amino compound; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist | |
| chrysene-1,4-dione | phenanthrenes | ||
| dichamanetin | dichamanetin: structure in first source | diarylheptanoid | metabolite |
| Chromone-3-carboxylic acid | chromones | ||
| nantenine, (+-)-isomer | |||
| 3-hydroxyglutaric acid | 3-hydroxyglutaric acid : A 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I. | 3-hydroxy carboxylic acid; alpha,omega-dicarboxylic acid | human blood serum metabolite; human urinary metabolite |
| arnicolide d | arnicolide D: cytotoxic; from Centipeda minima L.; structure in first source | sesquiterpene lactone | |
| 4',6-dihydroxyflavone | 4',6-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 4' and 6. | dihydroxyflavone | |
| rs 23597-190 | methoxybenzoic acid | ||
| l 158809 | L 158809: RN & structure given in first source; angiotensin receptor antagonist | ||
| tak 779 | |||
| sibenadet | sibenadet: structure in first source | ||
| scutellarin | scutellarin : The glycosyloxyflavone which is the 7-O-glucuronide of scutellarein. scutellarin: see scutellarein for aglycone | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
| dioxiram | dioxiram: structure given in first source | ||
| moracin m | moracin M: has been isolated from Morus alba L.; structure in first source | benzofurans | |
| dihydroresveratrol | dihydroresveratrol : A stilbenol that is 1,1'-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4'. dihydroresveratrol: structure in first source | stilbenol | plant metabolite; xenobiotic metabolite |
| emd 60263 | EMD 60263: a thiadiazinone derivative; a Ca+2 sensitizer devoid of any phosphorodiesterase inhibiting properties; EMD 60264 is an enantiomer of EMD 60263; structure given in second source | ||
| n(alpha)-benzoylarginineamide | N(alpha)-benzoylarginineamide: RN given refers to parent cpd(S)-isomer | ||
| santamarine | santamarin : A sesquiterpene lactone of the eudesmanolide group. santamarine: sesquiterpene derivative of costunolide | sesquiterpene lactone | |
| 7-aminoclonazepam | benzodiazepine | ||
| 5-hydroxy-7,8-dimethoxyflavone | 5-hydroxy-7,8-dimethoxyflavone: from Mosla Soochowensis Matsuda; structure given in first source | ||
| ngd 94-1 | NGD 94-1: D(4) receptor antagonist; structure in first source | ||
| l 734005 | 5-chloro-3-phenylthioindole-2-carboxamide: structure given in first source; an inhibitor of HIV-1 reverse transcriptase | ||
| hexestrol | |||
| 24-norursodeoxycholic acid | 24-norursodeoxycholic acid: structure given in first source | ||
| zg 63 | ZG 63: structure given in first source; a high affinity ligand for diazepam-insensitive benzodiazepine receptors | ||
| phenserine | phenserine: a carbamate analog of physostigmine; a long-acting inhibitor of cholinesterase | ||
| cns 5161 | CNS 5161: structure in first source | ||
| ethyl n-phthalimidoxyacetate | |||
| ro 5-3438 | Ro 5-3438: structure | ||
| sandoz-21-009 | indolyl carboxylate ester; isopropyl ester | ||
| etravirine | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor | |
| prolylglutamic acid | Pro-Glu : A dipeptide formed from L-proline and L-glutamic acid residues. | dipeptide | metabolite |
| ly 97119 | LY 97119: clofilium analog; blocks heart potassium channels; structure given in first source | ||
| 3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)n-hydroxy-5-methylhexanamide | 3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide: structure in first source | ||
| maduramicin | maduramicin: isolated from Actinomadura rubra | ||
| 4-anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) | 4-anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid): structure given in first source | ||
| palmarumycin cp(1) | palmarumycin CP(1): a type of spirobisnaphthalene, which contain two naphthalene-derived c10 units bridged through a spiroketal linkage with two oxygen bridges; structure in first source | ||
| nantenine | nantenine: from Nandina domestica Thundberg; RN given refers to (S)-isomer; structure given in first source | oxoaporphine alkaloid | metabolite |
| latrepirdine | latrepirdine: structure | methylpyridines; pyridoindole | geroprotector |
| tripelennamine citrate | |||
| sb 205384 | SB 205384: structure in first source | thienopyridine | |
| hydrastine hydrochloride, (s-(r*,s*))-isomer | |||
| benfluorex hydrochloride | |||
| ci 966 | CI 966: GABA uptake blocker; RN from Toxlit | diarylmethane | |
| (-)-gallocatechin gallate | (-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. | catechin; gallate ester; polyphenol | antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite |
| dermofix | sertaconazole nitrate : A racemate comprising equimolar amounts of (R)- and (S)-sertaconazole nitrate. A broad spectrum antifungal with added antipruritic and anti-inflammatory activity used for treatment of various skin infections. | ||
| preclamol | |||
| serc | |||
| 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid | 1-benzothiophenes | ||
| 1-(1-phenylcyclopentyl)methylamine | cyclopentanes; primary aliphatic amine | ||
| 4-n-butylresorcinol | 4-n-butylresorcinol: structure in first source | resorcinols | |
| alyssin | sulfoxide | ||
| muraglitazar | muraglitazar: has glucose- and lipid-lowering activities; structure in first source; molecule composed of benzyloxazole-phenoxy-oxybenzylglycine-phenoxyl having structural analogy to PHENOXYBENZAMINE | 1,3-oxazoles | |
| 1-acetyl-3,5-diphenyl-4,5-dihydro-(1h)-pyrazole | |||
| Difeterol | diarylmethane | ||
| dronedarone | dronedarone : A member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias. Dronedarone: A non-iodinated derivative of amiodarone that is used for the treatment of ARRHYTHMIA. | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
| tesaglitazar | tesaglitazar: structure in first source | ||
| tv3326 | indanes | ||
| lapatinib | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
| (r)-(-)-2-propyloctanoic acid | |||
| eptapirone | eptapirone: 5-HT(1A) receptor agonist; structure in first source | N-arylpiperazine | |
| bifeprunox | bifeprunox: an antipsychotic agent | biphenyls | |
| albaconazole | albaconazole: UR-9825 is the (1R,2R)-isomer; structure in first source | ||
| bmy 7378 | |||
| 2-(4-morpholinoanilino)-6-cyclohexylaminopurine | 2-(4-morpholinoanilino)-6-cyclohexylaminopurine: structure in first source | morpholines; purines; secondary amino compound; tertiary amino compound | adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent |
| 1H-indol-3-yl-(4-methoxyphenyl)methanone | N-acylindole | ||
| 2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide | boscalid : A pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. | anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic |
| n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide | fenhexamid : An aromatic amide resulting from the formal condensation of the carboxy group of 1-methylcyclohexanecarboxylic acid with the amino group of 4-amino-2,3-dichlorophenol. N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide: structure in first source | anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols | antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor |
| famoxadone | 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione : A member of the class of oxazolidinones that is 1,3-oxazolidine-2,4-dione in which the hydrogen attached to the nitrogen is substituted by a phenylamino group and the hydrogens at position 5 are substituted by methyl and 4-phenoxyphenyl groups. famoxadone : A racemate composed of equimolar amounts of (R)- and (S)-famoxadone. It prevents spore germination and mycelial growth of sensitive fungi, and is used in agriculture for the control of various fungal diseases. Only the (S)- enantiomer is active. famoxadone: strobilurin analogue; structure in first source | aromatic ether; carbohydrazide; oxazolidinone | |
| hmr 1766 | 5-chloro-2-(5-chlorothiophene-2-sulfonylamino)-N-(4-(morpholine-4-sulfonyl)phenyl)benzamide: a soluble guanylyl cyclase activator; structure in first source | ||
| darunavir | darunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors. Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS. | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
| lurasidone | lurasidone : An N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia. | 1,2-benzisothiazole; bridged compound; dicarboximide; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
| eglumetad | eglumetad: LY-354740 is the active isomer, LY-366563 is the inactive isomer, and LY 314582 is the racemate; structure given in first source | L-alpha-amino acid | |
| 4-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid | pyrroles | ||
| deferasirox | deferasirox : A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions. Deferasirox: A triazole and benzoate derivative that acts as a selective iron chelator. It is used in the management of chronic IRON OVERLOAD due to blood transfusion or non-transfusion dependent THALASSEMIA. | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
| elarofiban | elarofiban: a GPIIb and GPIIIa receptor antagonist; structure in first source | ||
| sorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor | |
| dabuzalgron | dabuzalgron : A sulfonamide that is N-phenylmethanesulfonamide which carries a chloro group at position 2, 4,5-dihydro-1H-imidazol-2-ylmethoxy group at position 5, and a methyl group at position 6. Its is a selective alpha-adrenoceptor agonist that is used in the treatment of urinary incontinence. dabuzalgron: an alpha(1A/1L)-adrenoceptor partial agonist; structure in first source | aromatic ether; imidazoles; monochlorobenzenes; sulfonamide | alpha-adrenergic agonist |
| mesembrenone | mesembrenone: a psychoactive compound isolated from Sceletium tortuosum; structure in first source | pyrrolidines | |
| lenalidomide | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator | |
| senicapoc | senicapoc: a Gardos channel blocker; structure in first source | ||
| fonsecin | fonsecin : A naphtho-gamma-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8. | aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols | Aspergillus metabolite; marine metabolite |
| nutlin 3 | stilbenoid | ||
| lasofoxifene | lasofoxifene : A member of the class of tetralins that is 5,6,7,8-tetrahydronaphthalen-2-ol in which the hydrogens at positions 5 and 6 are replaced by 4-[2-(pyrrolidin-1-yl)ethoxy]phenyl and phenyl groups, respectively (the 5R,6S-stereoisomer). It is a selective estrogen receptor modulator indicated for the prevention and treatment of osteoporosis in post-menopausal women. Lasofoxifene: structure in first source | aromatic ether; N-alkylpyrrolidine; naphthols; tetralins | antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist |
| n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | indisulam : A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development. N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide: structure in first source | chloroindole; organochlorine compound; sulfonamide | antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| regadenoson | purine nucleoside | ||
| roxindole | indoles | alpha-adrenergic antagonist; serotonergic drug | |
| lacosamide | Lacosamide: An acetamide derivative that acts as a blocker of VOLTAGE-GATED SODIUM CHANNELS. It is used as an anticonvulsant, for adjunctive or monotherapy, in the treatment of PARTIAL SEIZURES. | N-acyl-amino acid | |
| cp 101,606 | traxoprodil mesylate: a selective NMDA antagonist; structure given in first source | ||
| 1-methylpropyl-2-imidazolyl disulfide | 1-methylpropyl-2-imidazolyl disulfide: a thioredoxin inhibitor with antineoplastic activity | imidazoles | |
| N-hydroxy-2-phenylacetamide | acetamides | ||
| 3-hydroxy-quinazoline-2,4-dione | 3-hydroxy-quinazoline-2,4-dione: structure in first source | ||
| demecolcine | (-)-demecolcine : A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic. Demecolcine: An alkaloid isolated from Colchicum autumnale L. and used as an antineoplastic. | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
| cholic acid | cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion. | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| 1-Anilino-9,10-dioxo-2-anthroic acid | anthracenes | ||
| erythritol | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite | |
| deoxycholic acid | deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent. | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
| estradiol 3-benzoate | 17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol. | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
| cortisone | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite | |
| 2-carbazol-9-ylbenzoic acid | carbazoles | ||
| equilin | Equilin: An estrogenic steroid produced by HORSES. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the URINE of pregnant mares. | 17-oxo steroid; 3-hydroxy steroid | |
| N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| adrenosterone | adrenosterone : A 3-oxo Delta(4)-steroid that is androst-4-ene carrying three oxo-substituents at positions 3, 11 and 17. | 11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite |
| isoflupredone acetate | isoflupredone acetate: RN refers to (11beta)-isomer; structure | corticosteroid hormone | |
| carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester | anilide | ||
| 8-cyclohexylcaffeine | |||
| fludrocortisone acetate | fludrocortisone acetate : An acetate ester resulting from the formal condensation of the primary hydroxy group of fludrocortisone with acetic acid. A synthetic corticosteroid, it has glucocorticoid actions about 10 times as potent as hydrocortisone, while its mineralocorticoid actions are over 100 times as potent. It is used in partial replacement therapy for primary and secondary adrenocortical insufficiency in Addison's disease and for the treatment of salt-losing adrenal hyperplasia. | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone | |
| 1-keto-1,2,3,4-tetrahydrophenanthrene | 1-keto-1,2,3,4-tetrahydrophenanthrene: structure in first source | ||
| cortodoxone | 21-hydroxy steroid | ||
| gossypol acetic acid | |||
| lilial | |||
| 4'-hydroxyflavone | 4'-hydroxyflavone: structure in first source | ||
| norethindrone enanthate | norethindrone enanthate: structure in Negwer, 5th ed, #5612 | steroid ester | |
| testosterone isocaproate | testosterone isocaproate: a testosterone ester | steroid ester | |
| N-(3-chlorophenyl)carbamic acid 2-pyridinylmethyl ester | carbamate ester | ||
| 1,1-bis(4-hydroxyphenyl)cyclohexane | 1,1-bis(4-hydroxyphenyl)cyclohexane: structure in first source | diarylmethane | |
| acetoxycycloheximide | acetoxycycloheximide: structure | ||
| 2-(4-aminophenyl)benzothiazole | 2-(4-aminophenyl)benzothiazole: an agent with selective profile of in vitro anti-tumour activity; structure in first source | ||
| nsc 36398 | NSC 36398: structure in first source | ||
| 2-pyridin-4-yl-1,3-benzothiazole | benzothiazoles | ||
| 5-Fluoroisatin | indoles | anticoronaviral agent | |
| 1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol | 1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source | ||
| n-hydroxy-2,2-diphenylacetamide | N-hydroxy-2,2-diphenylacetamide: a class IIa HDAC inhibitor; structure in first source | ||
| vinblastine sulfate | alkaloid sulfate salt | ||
| vincaleukoblastine | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite | |
| blastmycin | blastmycin: structure | amidobenzoic acid | |
| lanosterol | 14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid | bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite | |
| 21-hydroxypregnenolone | 21-hydroxypregnenolone : A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21. 21-hydroxypregnenolone: RN given refers to (3beta)-isomer; | 21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone | mouse metabolite |
| 2-hydroxyestradiol | 2-hydroxy-17beta-estradiol : A 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2. 2-hydroxyestradiol: catechol estrogen; RN given refers to (17 beta)-isomer | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
| epietiocholanolone | epietiocholanolone : A 3beta-hydroxy steroid that is 5beta-androstane substituted by a hydroxy group at position 3beta and an oxo group at position 17. It is a metabolite of testosterone. | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite |
| 6-chloroflavone | 6-chloroflavone: structure in first source | ||
| methenolone enanthate | methenolone enanthate: for treatment of aplastic anemia; RN given refers to (5alpha,17beta)-isomer; structure in Negwer, 5th ed, #5625 | steroid ester | |
| melengestrol acetate | Melengestrol Acetate: A 6-methyl PROGESTERONE acetate with reported glucocorticoid activity and effect on ESTRUS. | corticosteroid hormone | |
| nsc 74859 | NSC 74859: inhibits Stat3 binding activity; structure in first source S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid. | amidobenzoic acid; monohydroxybenzoic acid; tosylate ester | STAT3 inhibitor |
| anisomycin | (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
| nsc 83265 | 3-tritylthio-L-alanine: RN & NM given refers to (L)-isomer | benzenoid aromatic compound | |
| nsc 88915 | 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source | ||
| nsc-89199 | estramustine phosphate : A steroid phosphate which is the 17-O-phospho derivative of estramustine. | carbamate ester; organochlorine compound; steroid phosphate | |
| estramustine | estramustine : A carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid. Estramustine: A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties. | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
| norfentanyl | norfentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 4-(N'-phenyl)piperidin-4-amine with propanoic acid. A major metabolite of fentanyl. norfentanyl: metabolite of fentanyl; RN given refers to parent cpd; structure given in first source | anilide; monocarboxylic acid amide; piperidines | drug metabolite; opioid analgesic |
| 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone | stilbenoid | ||
| telocinobufagin | telocinobufagin: structure | steroid lactone | |
| N-cyclooctyl-4-methylbenzenesulfonamide | sulfonamide | ||
| metribolone | 17beta-hydroxy-17-methylestra-4,9,11-trien-3-one : A synthetic non-aromatisable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors. Metribolone: A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors. | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid | androgen |
| arsenic trioxide | |||
| 4-benzyloxy-2-nitroaniline | 4-benzyloxy-2-nitroaniline: structure in first source | ||
| gardenin a | gardenin A: promotes neurite outgrowth; structure in first source | ||
| nsc 95397 | 1,4-naphthoquinones | ||
| 1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one | chalcones | ||
| 1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one | 1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one: has antineoplastic activity; structure in first source | ||
| withaferin a | withaferin A : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity. withaferin A: an antiestrogen and phytogenic antineoplastic agent isolated from leaves of Withania somnifera Dun.; structure | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
| 4-amino-1,2-dithiolane-4-carboxylic acid | 4-amino-1,2-dithiolane-4-carboxylic acid: structure in first source | ||
| 1-(4-methoxyphenyl)piperazine | 1-(4-methoxyphenyl)piperazine: a designer drug; structure in first source | ||
| methylnaphthazarin | methylnaphthazarin: structure in first source | ||
| 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester | naphthalenes | ||
| berbamine | bisbenzylisoquinoline alkaloid; isoquinolines | ||
| papaverinol | papaverinol: degradation product of papaverine | ||
| noscapine | (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent. | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
| 3',4'-dimethoxy-alpha-naphthoflavone | 3',4'-dimethoxy-alpha-naphthoflavone: activated Ah receptor; structure in first source | ||
| dimethyl 2-(2-nitrobenzylidene)malonate | dimethyl 2-(2-nitrobenzylidene)malonate: inhibits TLR4 signaling; structure in first source | ||
| nsc-126771 | dichloroallyl lawsone: structure | ||
| diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate: structure in first source | ||
| kalafungin | kalafungin: nanaomycin D from Streptomyces rosa & is enantiomer of kalafungin; RN given refers to (3aR-(3aalpha,5alpha,11balpha))-isomer; see also nanaomycin C; structure of kalafungin in first source; structure of nanaomycin in second source | ||
| santonic acid | santonic acid: santonin derivative obtained by boiling under alkaline conditions; structure in first source | ||
| N-butyl-1H-benzimidazol-2-amine | benzimidazoles | ||
| homoharringtonine | Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia. | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
| u-29409 | |||
| acivicin | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite | |
| 2-(3-nitrophenyl)-3,1-benzoxazin-4-one | benzoxazine | ||
| 2-(4-aminophenyl)quinoline | 2-(4-aminophenyl)quinoline: used for imaging tau protein; structure in first source | ||
| brusatol | |||
| 4-methoxyxanthone | 4-methoxyxanthone: a vasodilator; structure in first source | ||
| 2-quinolinecarboxylic acid (4-nitrophenyl) ester | quinolines | ||
| wortmannin | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent | |
| nafronyloxalate | |||
| nsc228155 | |||
| 1-phenylindolin-2-one | 1-phenylindolin-2-one: structure in first source | ||
| 1-(benzenesulfonyl)indole | sulfonamide | ||
| 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine | 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine: structure in first source | ||
| hematoxylin | haematoxylin | ||
| sirodesmin a | |||
| 2-methyl-3-(phenylmethylthio)-1H-indole | indoles | ||
| rocaglamide | rocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
| 3',4',5'-trimethoxyflavone | 3',4',5'-trimethoxyflavone: structure in first source | ether; flavonoids | |
| 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester | thienopyridine | ||
| medicarpin | (-)-medicarpin : The (-)-enantiomer of medicarpin. | medicarpin | plant metabolite |
| nsc 366140 | NSC 366140: a 9-methoxypyrazoloacridine; structure given in first source | ||
| Diterpene deriv 329 | diterpenoid | ||
| 7-methoxycoumarin-4-acetic acid | monocarboxylic acid | fluorochrome | |
| 6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile | substituted aniline | ||
| [4-(4-hydroxyphenyl)phenyl]-phenylmethanone | benzophenones | ||
| anthricin | anthricin: antitumor constituent from Anthriscus sylvestris (L.) Hoffm; structure in first source deoxypodophyllotoxin : A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes | antineoplastic agent; apoptosis inducer; plant metabolite |
| 2-guanidine-4-methylquinazoline | 2-guanidine-4-methylquinazoline: structure given in first source | ||
| sakuranetin | |||
| 2,4-diaminopteridine | 2,4-diaminopteridine: structure in first source | ||
| 1,3(2h,4h)-isoquinolinedione | 1,3(2H,4H)-isoquinolinedione: structure in first source | ||
| 10H-[1]benzothiolo[3,2-b]indole | indoles | ||
| 5-aminonicotinic acid | 5-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 5 of the pyridine ring. 5-aminonicotinic acid: an inhibitor of D-aspartate oxidase; structure in first source | aminonicotinic acid; aminopyridine; aromatic amine | metabolite |
| 7-Methoxy-2-methylisoflavone | methoxyisoflavone | ||
| 4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en | 4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en: RN given for (3R-(3alpha,3abeta,4beta,8aalpha))-isomer; a natural benzyl ester of a carotyl type azulene sesquiterpenoid; structure in first source | ||
| 3H-benzo[e]indole-2-carboxylic acid | indolyl carboxylic acid | ||
| niguldipine hydrochloride | |||
| 5-demethylnobiletin | 5-demethylnobiletin: antineoplastic from Citrus plants; structure in first source | ether; flavonoids | |
| cercosporin | cercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants | ||
| aromoline | aromoline: from roots of Stephania cepharantha; structure given in first source | ||
| perillyl alcohol | (S)-(-)-perillyl alcohol : A perillyl alcohol in which the chiral centre has S configuration. | perillyl alcohol | |
| paullone | paullone : An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6. paullone: structure in first source | indolobenzazepine; lactam | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
| 5-Hydroxy-7-methoxy-6-methylflavone | ether; flavonoids | ||
| 5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone | 5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone: an antineoplastic flavonol isolated from Polanisia dodecandra; structure given in first source | ||
| o-(chloroacetylcarbamoyl)fumagillol | O-(chloroacetylcarbamoyl)fumagillol : A carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative. O-(Chloroacetylcarbamoyl)fumagillol: Semisynthetic analog of fumagillin (a cyclohexane-sesquiterpene antibiotic isolated from ASPERGILLUS FUMIGATUS) that inhibits angiogenesis. | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
| 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone | 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source | ||
| 5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one | ether; flavonoids | ||
| nsc 663284 | NSC 663284: structure in first source | quinolone | |
| nsc668394 | |||
| 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione | 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione : A spiro compound that consists of two units of 1,2,3,6,7,8-hexahydro-5H-cyclopenta[b]naphthalen-5-one fused together at position 2. It is an inhibitor of Hepatitis C virus E2 protein that exhibits inhibitory activity against hepatitis C virus infections. | carbopolycyclic compound; cyclic ketone; diketone; spiro compound | antiviral agent |
| nsc 674495 | NSC 674495: structure in first source | ||
| nsc 680410 | NSC 680410: a bcr/abl kinase inhibitor; structure in first source | ||
| nsc681152 | |||
| bortezomib | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor | |
| nsc689857 | |||
| 8-deoxygartanin | 8-deoxygartanin: a butyrylcholinesterase inhibitor; isolated from Garcinia mangostana; structure in first source | xanthones | |
| ritonavir | ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A. | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
| mrs 1220 | 9-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazoline: structure in first source | quinazolines | |
| aglafoline | aglafolin : A heterotricyclic compound based on a 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a and methoxy groups at C-6 and C-8. A platelet aggregation inhibitor found in Aglaia elliptifolia and Aglaia odorata. aglafoline: a platelet activating factor antagonist; structure given in first source; isolated from Aglaia elliptifolia | methyl ester; organic heterotricyclic compound | metabolite; platelet aggregation inhibitor |
| rocaglaol | rocaglaol: a cytotoxic cyclopenta(b)benzofuran from the bark of Aglaia crassinervia; structure in first source | ||
| tizoxanide | tizoxanide: major metabolite of nitazoxanide; structure in first source | salicylamides | |
| trapoxin a | trapoxin B: from Helicoma ambiens; structure given in first source | ||
| nu 6027 | |||
| meridianin g | meridianin G: from the tunicate Aplidium meridianum; structure in first source | ||
| bardoxolone methyl | methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source | cyclohexenones | |
| dcb 3503 | |||
| tryptoquivaline | fumitremorgin C : An organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi. A potent and specific inhibitor of the breast cancer resistance protein multidrug transporter. | aromatic ether; indole alkaloid; organic heteropentacyclic compound | breast cancer resistance protein inhibitor; mycotoxin |
| mequindox | Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source | ||
| 1-hydroxypentane-1,1-bisphosphonate | |||
| 1,1-hydroxyoctanodiphosphonate | |||
| nexavar | organosulfonate salt | ||
| methylmercuric chloride | methylmercuric chloride: RN given refers to unlabeled cpd | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
| nsc 23766 | aminopyrimidine; aminoquinoline; primary amino compound; secondary amino compound; tertiary amino compound | antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist | |
| 1-methoxy-10H-acridin-9-one | acridines | ||
| 1-methyl-6-methoxy-dihydro-beta-carboline | |||
| N-(2-phenylphenyl)-2-pyrazinecarboxamide | aromatic amide | ||
| 9-deazaadenosine | |||
| 2H-pyrazolo[4,3-b]quinoxalin-3-amine | quinoxaline derivative | ||
| s-adenosylhomocysteine | S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine. S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions. | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
| 5'-methylthioadenosine | 5'-methylthioadenosine: structure 5'-S-methyl-5'-thioadenosine : Adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. | thioadenosine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| lyxose | D-lyxopyranose : The pyranose form of D-lyxose. D-lyxose : Any lyxose having D-configuration. | D-lyxose | |
| naringenin | (S)-naringenin : The (S)-enantiomer of naringenin. | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
| deoxyglucose | 2-deoxy-D-glucopyranose : A 2-deoxy-D-glucose that is D-glucopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. | 2-deoxy-D-glucose | metabolite |
| 5-hydroxytryptophan | 5-hydroxy-L-tryptophan : The L-enantiomer of 5-hydroxytryptophan. hydroxytryptophan : A hydroxy-amino acid that is tryptophan substituted by at least one hydroxy group at unspecified position. | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant metabolite |
| oxytocin | oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour. Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION. | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
| galactose | beta-D-galactose : A D-galactopyranose having beta-configuration at the anomeric centre. beta-D-galactoside : Any D-galactoside having beta-configuration at its anomeric centre. | D-galactopyranose | epitope; mouse metabolite |
| cysteinylglycine | cysteinylglycine: RN given refers to (L)-isomer; RN for cpd without isomeric designation not in Chemlne 7/13/83 L-cysteinylglycine : A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism. | dipeptide; dipeptide zwitterion | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
| ouabain | cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE. | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
| taxifolin | (+)-taxifolin : A taxifolin that has (2R,3R)-configuration. | taxifolin | metabolite |
| tosylphenylalanyl chloromethyl ketone | N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process. | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
| discretamine | (S)-scoulerine : A berberine alkaloid isolated from Corydalis saxicola. | berberine alkaloid; organic heterotetracyclic compound | EC 5.99.1.2 (DNA topoisomerase) inhibitor; plant metabolite |
| beta-chloro-l-alanine | 3-chloro-L-alanine : A 3-chloroalanine that has R configutation at the chiral centre. | 3-chloroalanine; amino acid zwitterion; L-alanine derivative | |
| willardiine | 3-(uracil-1-yl)-L-alanine : The 3-(uracil-1-yl) derivative of L-alanine. willardiine: isolated from seeds of Acacia willariana; structure | amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid | |
| androstane-3,17-dione, (5beta)-isomer | 5beta-androstane-3,17-dione : An androstane-3,17-dione with a 5beta-configuration. | 3-oxo-5beta-steroid; androstane-3,17-dione | mouse metabolite |
| adenosine 5'-phosphoramidate | adenosine 5'-phosphoramidate : The phosphoramadite analogue of AMP. | organic phosphoramidate | Mycoplasma genitalium metabolite |
| tetrahydrocolumbamine | (S)-tetrahydrocolumbamine : A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. tetrahydrocolumbamine: a dopamine receptor ligand; from Polygala tenuifolia; structure given in first source | berberine alkaloid; organic heterotetracyclic compound | |
| adenosine 5'-o-(3-thiotriphosphate) | adenosine 5'-[gamma-thio]triphosphate : A nucleoside triphosphate analogue that is ATP in which one of the oxygens attached to 3-phosphate group is replaced by sulfur. adenosine 5'-O-(3-thiotriphosphate): RN given refers to cpd with unspecified locant for thio group; see also records for 1-thio & 2-thio-isomers | nucleoside triphosphate analogue | |
| mimosine | L-mimosine : An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. | 4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
| 2-methoxyestrone | 2-methoxyestrone : A 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group. | 17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols | human metabolite; mouse metabolite |
| pelargonidin | pelargonidin : An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'. pelargonidin: influences flower phenotype | 5-hydroxyanthocyanidin | plant metabolite |
| arbutin | hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
| obamegine | obamegine: RN given refers to cpd without isomeric designation | bisbenzylisoquinoline alkaloid; isoquinolines | |
| strychnine | strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position. Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison. | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
| quinidine | quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
| griseofulvin | griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. Griseofulvin: An antifungal agent used in the treatment of TINEA infections. | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
| digitoxin | digitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665) | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| moxalactam disodium | |||
| saquinavir | saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A. | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
| silver sulfadiazine | pyrimidines; silver salt; sulfonamidate | antibacterial drug; antimicrobial agent | |
| hyperforin | hyperforin : A cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum. hyperforin: a prenylated acylphloroglucinol derivative; antibiotic component of novoimanine; psychoactive agent in St. John's wort; Russian; structure; | ||
| abacavir | abacavir : A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection. abacavir: a carbocyclic nucleoside with potent selective anti-HIV activity | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
| epiandrosterone | epiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; human metabolite |
| metoprolol tartrate | alcohol; phenols | ||
| amiodarone hydrochloride | aromatic ketone | ||
| mometasone furoate | Mometasone Furoate: A pregnadienediol derivative ANTI-ALLERGIC AGENT and ANTI-INFLAMMATORY AGENT that is used in the management of ASTHMA and ALLERGIC RHINITIS. It is also used as a topical treatment for skin disorders. | 11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester | anti-allergic agent; anti-inflammatory drug |
| nortriptyline hydrochloride | organic tricyclic compound | geroprotector | |
| mefloquine hydrochloride | |||
| erythromycin estolate | Erythromycin Estolate: A macrolide antibiotic, produced by Streptomyces erythreus. It is the lauryl sulfate salt of the propionic ester of erythromycin. This erythromycin salt acts primarily as a bacteriostatic agent. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins. | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
| terconazole | (2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida). terconazole: structure & RN for (cis)-isomer from first source | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
| linezolid | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor | |
| propiverine hydrochloride | diarylmethane | ||
| hemanthamine | alkaloid | ||
| cyanidin 3-o-beta-d-glucopyranoside | cyanidin 3-O-beta-D-glucoside : An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. | anthocyanin cation; beta-D-glucoside; monosaccharide derivative | metabolite |
| buclizine | luteolinidin: structure in first source | 5-hydroxyanthocyanidin | |
| peonidin | peonidin : An anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4', 5 and 7 as well as a methoxy substituent at position 3'. peonidin: a COX-2 inhibitor with protein kinase inhibitory and phytogenic antineoplastic activities; RN given for chloride salt | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; metabolite |
| petunidin | petunidin : An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'. petunidin: RN given for chloride salt | 5-hydroxyanthocyanidin | plant metabolite |
| glaucarubinone | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; plant metabolite | |
| 2-(2-phenylethyl)chromone | 2-(2-phenylethyl)chromone : A member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. 2-(2-phenylethyl)chromone: from Aquilaria sinensis; structure given in first source | benzenes; chromones | plant metabolite |
| brucine | brucine: was heading 1991-94 (see under STRYCHNINE 1975-90); DIMETHOXYSTRYCHNINE was see BRUCINE 1975-94; use STRYCHNINE to search BRUCINE 1975-94; very toxic alkaloid from Nux vomica similar to strychnine; used as reagent in analytical chemistry; was MH 1991-94 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | |
| isopimaric acid | isopimaric acid: isolated from the bark of Illicium jadifengpi | carbotricyclic compound; diterpenoid; monocarboxylic acid | |
| physovenine | physovenine: structure given in first source | indoles | |
| micheliolide | micheliolide: has antineoplastic activity; structure in first source | sesquiterpene lactone | |
| 11alpha,13-dihydrohelenalin | sesquiterpene lactone | ||
| davidigenin | davidigenin : A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', and 4' respectively. davidigenin: has antispasmodic activity; isolated from Mascarenhasia arborescens; structure in first source | dihydrochalcones; polyphenol | anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite |
| bisabolol | Kamillosan: drug combination containing chamomile and bisabolol; used to treat dermatitis | sesquiterpenoid | |
| naringin | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite | |
| hematoxylin | haematoxylin : An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology. | haematoxylin | |
| ochratoxin a | ochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. ochratoxin A: structure in first source & in Merck, 9th ed, #6549 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
| securinine | securinine: a quinolizine pseudoalkaloid (not from amino acid) from Securinega suffurutiosa or Securinini nitras | indolizines | |
| hinokinin | hinokinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer). hinokinin: suppresses expression of both HBsAg and HBeAg | benzodioxoles; gamma-lactone; lignan | trypanocidal drug |
| 3-deoxyvasicine | 3-deoxyvasicine: RN given refers to parent cpd | quinazolines | |
| acriflavine | Acriflavine: 3,6-Diamino-10-methylacridinium chloride mixt. with 3,6-acridinediamine. Fluorescent dye used as a local antiseptic and also as a biological stain. It intercalates into nucleic acids thereby inhibiting bacterial and viral replication. | ||
| 6-prenylchrysin | 6-(3,3-dimethylallyl)chrysin : A dihydroxyflavone that is chrysin substituted by a prenyl group at position 6. 6-prenylchrysin: structure in first source | 7-hydroxyflavonol; dihydroxyflavone | |
| 3-hydroxyaspartic acid, (threo-l)-isomer | (3S)-3-hydroxy-L-aspartic acid : The (3S)-diastereomer of 3-hydroxy-L-aspartic acid. | 3-hydroxy-L-aspartic acid | metabolite |
| N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide | anilide | ||
| L-isoprenaline | L-isoprenaline : An optically active phenylethanolamine compound having an isopropyl substituent attached to the nitrogen atom. | catecholamine; phenylethanolamines | beta-adrenergic agonist; sympathomimetic agent |
| devazepide | devazepide : An indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders. Devazepide: A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding. | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
| sb 221284 | SB 221284: 5-HT(2C/2B) receptor antagonist; structure in first source | indolyl carboxylic acid | |
| sb 228357 | SB 228357: a neuroleptic with equivalent or higher antagonist affinity for 5-HT2 than for dopamine D2 receptor | indolyl carboxylic acid | |
| sb 243213 | SB 243213: a 5-HT2c inverse agonist; structure in first source | indolyl carboxylic acid | |
| 3,5-dihydroxyphenylglycine | (S)-3,5-dihydroxyphenylglycine : A glycine derivative that is L-alpha-phenylglycine substituted at positions 3 and 5 on the phenyl ring by hydroxy groups. | amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols | |
| Telomestatin | 1,3-oxazoles | ||
| surfactin c | surfactin C : A cyclodepsipeptide that is N-[(3R)-3-hydroxy-13-methyltetradecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant |
| actinonin | actinonin: natural hydroxamic acid, pseudopeptide antibiotic isolated from Streptomyces species; structure | ||
| carubicin | carminomycin : A toxic anthracycline antibiotic that is produced by Actinomadura carminata and also has potent antineoplastic activity. | aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones | antineoplastic agent; apoptosis inducer |
| eplerenone | Eplerenone: A spironolactone derivative and selective ALDOSTERONE RECEPTOR antagonist that is used in the management of HYPERTENSION and CONGESTIVE HEART FAILURE, post-MYOCARDIAL INFARCTION. | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
| tolterodine | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant | |
| ergonovine | ergometrine : A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced. Ergonovine: An ergot alkaloid (ERGOT ALKALOIDS) with uterine and VASCULAR SMOOTH MUSCLE contractile properties. | ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound | diagnostic agent; fungal metabolite; oxytocic; toxin |
| paramethasone acetate | corticosteroid hormone | ||
| epitiostanol | epitiostanol: used in therapy of advanced breast cancer; structure | organic molecular entity | |
| doxorubicin hydrochloride | anthracycline | ||
| halcinonide | Halcinonide: A glucocorticoid used topically in the treatment of DERMATITIS; ECZEMA; or PSORIASIS. It may cause skin irritation. | organic molecular entity | SMO receptor agonist |
| dibenzepin hydrochloride | dibenzodiazepine | ||
| medigoxin | Medigoxin: A semisynthetic digitalis glycoside with the general properties of DIGOXIN but more rapid onset of action. Its cardiotonic action is prolonged by its demethylation to DIGOXIN in the liver. It has been used in the treatment of congestive heart failure (HEART FAILURE). | cardenolide glycoside | |
| vinpocetine | vinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designation | alkaloid | geroprotector |
| lephetamine | lephetamine: RN given refers to (R)-(-)-isomer; structure | stilbenoid | |
| estramustine phosphate sodium | estramustine sodium phosphate : An organic sodium salt which is the disodium salt of estramustine phosphate. | organic sodium salt | |
| tibolone | tibolone : Estran-3-one with a double bond between positions 5 and 10, and bearing both an ethynyl group and a hydroxy group at position 17 (R-configuration). A synthetic steroid hormone drug which acts as an agonist at all five type I steroid hormone receptors, it is used in the prevention of postmenopausal osteoporosis and for treatment of endometriosis. tibolone: used in prevention of postmenopausal osteoporosis | 17beta-hydroxy steroid; terminal acetylenic compound | bone density conservation agent; hormone agonist |
| loteprednol etabonate | Loteprednol Etabonate: An androstadiene derivative corticosteroid that is used as an ANTI-ALLERGIC AGENT for the treatment of inflammatory and allergic eye conditions. | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester | anti-inflammatory drug |
| darifenacin | darifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence. | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
| dihydroergocristine monomesylate | dihydroergocristine mesylate : The methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia. | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
| fluticasone propionate | fluticasone propionate : A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity. | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester | adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug |
| roxithromycin | erythromycin derivative; macrolide; semisynthetic derivative | antibacterial drug | |
| sdz 283-910 | SDZ 283-910: structure in first source | ||
| aconitic acid | trans-aconitic acid : The trans-isomer of aconitic acid. | aconitic acid | fundamental metabolite |
| maleic acid | maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration. maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
| e-z cinnamic acid | cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | cinnamic acid | plant metabolite |
| retinylamine | retinylamine: structure | ||
| benzamidine | carboxamidinium ion | ||
| trichostatin a | trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
| cp 320626 | CP 320626: structure in first source | ||
| tretinoin | all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE). | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
| arachidonic acid | arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14. | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
| alpha-cyclodextrin | alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units. | cyclodextrin | |
| farnesol | (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed) | farnesol | plant metabolite |
| resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
| (north)-methanocarbathymidine | (north)-methanocarbathymidine: also called NMCT 1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine : A carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 2-pro-S, 4-pro-S and 5-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively. | C-glycosyl pyrimidine; carbobicyclic compound; primary alcohol; pyrimidone; secondary alcohol | |
| retinol | all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication. Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products. | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
| 3-(3-pyridyl)-1-propyl-(2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate | |||
| docosahexaenoate | all-cis-docosa-4,7,10,13,16,19-hexaenoic acid : A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19. docosahexaenoate : A polyunsaturated fatty acid anion that is the conjugate base of docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. docosahexaenoic acid : Any C22 polyunsaturated fatty acid containing six double bonds. efalex: a mixture of fish oil and primrose oil; used as a high-docosahexaenoic acid fatty acid supplement | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
| palmitoleic acid | hexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
| oleic acid | oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed) | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
| tacrolimus | tacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro. | macrolide lactam | bacterial metabolite; immunosuppressive agent |
| farnesyl pyrophosphate | 2-trans,6-trans-farnesyl diphosphate : The trans,trans-stereoisomer of farnesyl diphosphate. farnesyl pyrophosphate: a sesquiterpene that dimerizes to SQUALENE; RN given refers to cpd without isomeric designation | farnesyl diphosphate | Escherichia coli metabolite; mouse metabolite |
| ferulic acid | ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
| (3R,5S)-fluvastatin | (3R,5S)-fluvastatin : A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which the stereocentres beta- and delta- to the carboxy group have R and S configuration, respectively. The drug fluvastatin is an equimolar mixture of this compound and its enantiomer. | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; statin (synthetic) | |
| cocaine | cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake. | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
| eicosapentaenoic acid | all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17. icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds. | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
| cgs 27023a | CGS 27023A: a matrix metalloproteinase inhibitor | ||
| mycophenolic acid | mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION. | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
| mupirocin | mupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections. Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing. | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
| clindamycin | clindamycin : A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic. Clindamycin: An antibacterial agent that is a semisynthetic analog of LINCOMYCIN. | ||
| gw 409544 | GW 409544: a PPARalpha agonist; structure in first source | monocarboxylic acid | |
| brivudine | brivudine: anti-herpes agent | ||
| 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol : A carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors. 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol: estrogen receptor ligand; structure in first source | carbotetracyclic compound; polyphenol | estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent |
| mdl29,951 | |||
| zithromax | azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections. Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis. | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
| pd 173955 | PD 173955: inhibits src family-selective tyrosine kinase; structure in first source | aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine | tyrosine kinase inhibitor |
| valine-pyrrolidide | valine-pyrrolidide: structure given in first source | ||
| (S)-ATPA | (S)-ATPA : A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group. | isoxazoles; non-proteinogenic L-alpha-amino acid | metabolite |
| drf 2725 | ragaglitazar: a phenoxazine analogue of phenyl propanoic acid; Ragaglitazar is a coligand of PPARalpha and PPARgamma | ||
| 2-butenal | crotonaldehyde : An enal consisting of propene having a formyl group at the 1-position. | enal | |
| isofagomine | piperidines | ||
| pd 166326 | PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor | ||
| gw 3965 | GW 3965: a liver X receptor ligand | diarylmethane | |
| t0901317 | T0901317: an LXRalpha and LXRbeta agonist | ||
| epothilone b | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent | |
| y 27632 | Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. | aromatic amide | |
| h 1152 | (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane. | isoquinolines; N-sulfonyldiazepane | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| adenosine-5'-(n-ethylcarboxamide) | Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group. | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
| mln 4760 | 2-(1-carboxy-2-(3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl)ethylamino)-4-methylpentanoic acid: MLN-4760 is the (S,S)-isomer; an ACE2 inhibitor; structure in first source MLN-4760 : A L-histidine derivative that is L-histidine in which a hydrogen of the primary amino group is substituted by a (1S)-1-carboxy-3-methylbutyl group and the ring NH group is substituted by a 3,5-dichlorobenzyl group. It is a potent and selective human angiotensin-converting enzyme 2 (ACE2) inhibitor (IC50 = 0.44 nM) which was in clinical development for the treatment of ulcerative colitis. | dichlorobenzene; L-histidine derivative; L-leucine derivative | anti-inflammatory agent; EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor |
| n(1)-guanyl-1,7-diaminoheptane | 2-(7-aminoheptyl)guanidine : A member of the class of guanidines in which the imino hydrogen of guanidine itself has been replaced by a 7-aminoheptyl group. It is an inhibitor of deoxyhypusine synthase activity (GO:0034038). N(1)-guanyl-1,7-diaminoheptane: inhibits deoxyhypusine synthase | guanidines; primary amino compound | antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor |
| diethylstilbestrol | diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed) | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
| eptifibatide | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor | |
| 7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine | |||
| 6-bromoindirubin-3'-oxime | 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. 6-bromoindirubin-3'-oxime: structure in first source | ||
| 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine : A member of the class of 6-aminopurines that is 2-fluoroadenine carrying additional 2-chloro-3,4,5-trimethoxybenzyl and pent-4-yn-1-yl substituents at positions 8 and 9 respectively. | 6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound | antineoplastic agent; Hsp90 inhibitor |
| purvalanol b | purvalanol B: protein kinase inhibitor; structure in first source | purvalanol | protein kinase inhibitor |
| repsox | RepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrect | pyrazolopyridine | |
| cp-640186 | CP-640186: a potent inhibitor of mammalian Acetyl-coenzyme A carboxylases & can reduce body weight and improve insulin sensitivity in test animals; structure in first source | anthracenes; bipiperidines; morpholines; N-acylpiperidine | |
| alitretinoin | Alitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA. | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
| roflumilast | aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound | anti-asthmatic drug; phosphodiesterase IV inhibitor | |
| h 89 | (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration. N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor. | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
| gs 4071 | GS 4071: The acid form. oseltamivir acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza. | acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite |
| afimoxifene | afimoxifene : A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen. | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
| decitabine | 2'-deoxyribonucleoside | ||
| 1,4-dideoxy-1,4-imino-d-arabinitol | |||
| valrubicin | anthracycline; trifluoroacetamide | ||
| 12-deoxyphorbol 13-acetate | phorbol ester | metabolite | |
| apogossypol | apogossypol: structure in first source | ||
| pa 824 | pretomanid: nitroimidazopyran derived from 5-nitroimidazoles; a prodrug that requires activation by a bacterial F420-depedent glucose-6-phosphate dehydrogenase (Fgd) and nitroreductase to activate components that then inhibit bacterial mycolic acid and protein synthesis; structure in first source | ||
| ketoconazole | (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration. | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
| purvalanol a | 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer; | purvalanol | |
| cefamandole | cefamandole : A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups. Cefamandole: Semisynthetic wide-spectrum cephalosporin with prolonged action, probably due to beta-lactamase resistance. It is used also as the nafate. | cephalosporin; semisynthetic derivative | antibacterial drug |
| wr-142,490 | (+)-(11R,2'S)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown. | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
| diclazuril | nitrile | ||
| dactinomycin | Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015) | actinomycin | mutagen |
| tiazofurin | tiazofurin: RN given refers to (beta-D)-isomer; structure given in first source tiazofurine : A C-glycosyl compound that is 1,3-thiazole-4-carboxamide in which the hydrogen at position 2 has been replaced by a beta-D-ribofuranosyl group. It is metabolised to thiazole-4-carboxamide adenine dinucleotide (TAD), a selective inhibitor of inosine monophosphate dehydrogenase (IMP dehydrogenase). | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
| 5-benzimidazolecarboxylic acid | 5-benzimidazolecarboxylic acid: structure in first source | ||
| 2-methyladenosine | 2-methyladenosine : A methyladenosine in which the methyl group is located at position 2 on the adenine ring. | methyladenosine | |
| carbocyclic 5-iodo-2'-deoxyuridine | |||
| azaserine | azaserine : A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species. Azaserine: Antibiotic substance produced by various Streptomyces species. It is an inhibitor of enzymatic activities that involve glutamine and is used as an antineoplastic and immunosuppressive agent. | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
| melphalan | melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring. Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen. | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
| 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| pd 146626 | kb-NB165-09: inhibitor of protein kinase D; structure in first source | ||
| benzyloxycarbonylleucyl-leucyl-leucine aldehyde | benzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative. | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
| tenofovir | tenofovir (anhydrous) : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection. | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
| 1-deaza-2-chloro-n(6)-cyclopentyladenosine | 1-deaza-2-chloro-N(6)-cyclopentyladenosine: adenosine A(1) receptor agonist | ||
| cyclosaligenyl-2',3'-didehydro-2',3'-dideoxythymidine monophosphate | |||
| u 100480 | U 100480: structure given in first source | ||
| prinomastat | prinomastat : A hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. prinomastat: a diazepine-based hydroxamic acid inhibitor; matrix metalloproteinase (MMP) inhibitor; angiogenesis inhibitor; | aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor |
| 7-methoxyflavone | 7-methoxyflavone: an aromatase inhibitor | ether; flavonoids | |
| 6-bromoflavone | 6-bromoflavone: a high affinity ligand for the central benzodiazepine receptors; structure given in first source | ||
| ravuconazole | ER 30346: structure in first source ravuconazole : A member of the class of triazoles that is 1-butyl-1H-1,2,4-triazole in which the butyl group is substituted at positions 2, 2, and 3 by hydroxy, 2,4-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively (the R,R stereoisomer). It exhibits antifungal activity by inhibition of 14alpha demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCIO4) | 1,3-thiazoles; fluorobenzenes; nitrile; tertiary alcohol; triazoles | antifungal drug; antileishmanial agent; EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor |
| posaconazole | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug | |
| ganoderic acid a | triterpenoid | ||
| ganoderiol f | ganoderiol F: a ganoderma triterpene from Ganoderma amboinense; structure in first source | triterpenoid | |
| aspartyl-aspartic acid | Asp-Asp : A dipeptide formed from two L-aspartic acid units. aspartyl-aspartic acid: do not confuse with cyclo(Asp-Asp) | dipeptide | Mycoplasma genitalium metabolite |
| rubitecan | rubitecan : A pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin. rubitecan: RN refers to (+-)-isomer; anti-HIV agent; DNA Topoisomerases, Type I inhibitor | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
| meso-dihydroguaiaretic acid | meso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta. | guaiacols; lignan | plant metabolite |
| micafungin | micafungin : A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the sodium salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are intolerant of other therapy. Micafungin: A cyclic lipo-hexapeptide echinocandin antifungal agent that is used for the treatment and prevention of CANDIDIASIS. | antibiotic antifungal drug; echinocandin | antiinfective agent |
| (+)-usnic acid | usnic acid | ||
| shikonin | shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities | hydroxy-1,4-naphthoquinone | |
| 8-prenylnaringenin | 8-prenylnaringenin: a phytogenic antineoplastic agent; structure in first source sophoraflavanone B : A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8. | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | plant metabolite; platelet aggregation inhibitor |
| glabrene | glabrene: structure in first source | isoflavonoid | |
| glyasperin D | glyasperin D : A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. | aromatic ether; hydroxyisoflavans; methoxyisoflavan | plant metabolite |
| kazinol b | kazinol B: a natural isoprenylated flavan | ||
| 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one | psoralens | ||
| 4-(2-oxazolo[4,5-b]pyridinyl)aniline | 1,3-oxazoles | ||
| N-ethylharmine | N-ethylharmine : A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a ethyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity. | aromatic ether; beta-carbolines; semisynthetic derivative | anti-HIV agent |
| bay 57-1293 | pritelivir: herpes simplex virus 1 helicase-primase inhibitor | ||
| riboflavin | vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms). | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
| 3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one | 2-benzofurans | ||
| 2'-c-methyladenosine | 2'-C-methyladenosine: antiviral | ||
| 2'-c-methylcytidine | 2'-C-methylcytidine: structure in first source | ||
| licocoumarone | licocoumarone : A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. licocoumarone: has anti-inflammatory activity; isolated from Glycyrrhiza uralensis; structure in first source | 1-benzofurans; aromatic ether; resorcinols | antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| bms-488043 | BMS-488043: anti-HIV agent | ||
| 8-isopentenylnaringenin | 8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first source | flavanones | |
| isoxanthohumol | isoxanthohumol: structure in first source | flavanones | |
| 1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide | indolecarboxamide | anticoronaviral agent | |
| potassium perchlorate | potassium perchlorate: thyroid antagonist; structure | ||
| sodium acetate, anhydrous | Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant. | organic sodium salt | NMR chemical shift reference compound |
| sodium benzoate | sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function. | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
| n-desmethylflunitrazepam | N-desmethylflunitrazepam: metabolite of flunitrazepam | ||
| IPA-3 | IPA-3 : An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. | naphthols; organic disulfide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| 6-hydroxyindole | 6-hydroxyindole: structure in first source | ||
| ro 05-4082 | ID 690: methyl deriv of clonazepam; structure | ||
| t-2 toxin | |||
| ditiocarb sodium | organic molecular entity | ||
| jp-1302 | |||
| bromochloroacetic acid | bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process. Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION. | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
| 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester | heteroarene | ||
| 1-(phenylmethyl)benzimidazole | benzimidazoles | ||
| 2-chloro-N-(5-methyl-3-isoxazolyl)acetamide | aromatic amide | ||
| 4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first source | aromatic ether | |
| 6-ethoxy-2-[(4-fluorophenyl)methylthio]-1,3-benzothiazole | benzothiazoles | ||
| 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole | benzimidazoles; sulfoxide | ||
| 4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| Tetrahydropiperine | benzodioxoles | ||
| 8-prop-2-enylsulfonylquinoline | quinolines | ||
| 5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester | carboxylic ester | ||
| 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazolimine | dimethoxybenzene | ||
| 5-methoxy-3-methyl-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| 1-(5H-dibenzo[b,f]azepin-5-yl)ethan-1-one | dibenzooxazepine | ||
| 1,1-Bis(4-hydroxyphenyl)ethane | diarylmethane | ||
| tolfenamic acid | tolfenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 3-chloro-2-methylphenyl group. Tolfenamic acid is used specifically for relieving the pain of migraine. It also shows anticancer activity. tolfenamic acid: structure | aminobenzoic acid; organochlorine compound; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| 4,5-diphenyl-1,2,3-triazole | 4,5-diphenyl-1,2,3-triazole : A member of the class of triazoles that is 2H-1,2,3-triazole carrying two phenyl substituents at positions 4 and 5. | benzenes; ring assembly; triazoles | |
| N-benzylquinazolin-4-amine | N-benzylquinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4. | benzenes; quinazolines; secondary amino compound | |
| 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile | naphthyridine derivative | ||
| 3'-methoxyflavone | 3'-methoxyflavone : The parent member of the class of 3'-methoxyflavones that is flavone which carries a methoxy group at the 3'-position. | 3'-methoxyflavones | plant metabolite |
| (5-methoxy-3-benzofuranyl)-phenylmethanone | aromatic ketone | ||
| artemisin | |||
| 6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinamine | aryl sulfide | ||
| 4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine | aryl sulfide | ||
| 5-(4-nitrophenyl)-4-phenyl-2-thiazolamine | C-nitro compound | ||
| methyl triclosan | methyl triclosan: structure in first source | ||
| cabreuvin | cabreuvin: structure in first source | methoxyisoflavone | |
| 3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline | pyrimidines | ||
| idarubicin hydrochloride | anthracycline | ||
| pirarubicin hydrochloride | anthracycline | ||
| safrazine hydrochloride | benzodioxoles | ||
| crotonic acid | butenoic acid : Any C4, straight-chain fatty acid containing one double bond. crotonic acid : A but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota. crotonic acid: a stereospecific unsaturated carboxylic acid found in CROTON OIL | 2-butenoic acid | plant metabolite |
| niflumic acid | strictifolione: structure in first source | ||
| hydroxyphenethylferulate | hydroxyphenethylferulate: from the roots of Atropa acuminata (Solanaceae); structure in first source | hydroxycinnamic acid | |
| hirsutanone | hirsutanone: from methanolic extract of the aerial parts of Viscum cruciatum (Viscaceae) | diarylheptanoid | |
| cinnamaldehyde | (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer. | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
| 2-hydroxycinnamic acid | 2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. trans-2-coumaric acid : The trans-isomer of 2-coumaric acid. | 2-coumaric acid; phenols | antioxidant; metabolite |
| 3-coumaric acid | 3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring. 3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3. | 3-coumaric acid | |
| trans-4-coumaric acid | 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid. | 4-coumaric acid | food component; mouse metabolite; plant metabolite |
| 2,4-hexadienal | (E,E)-2,4-hexadienal : A hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices. 2,4-hexadienal: RN given refers to compound with no isomeric designation hexadienal : An enal that is hexadiene carrying an oxo group at position 1. | hexadienal; polyunsaturated fatty aldehyde; volatile organic compound | flavouring agent; plant metabolite |
| geraniol | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component | |
| dimethyl fumarate | diester; enoate ester; methyl ester | antipsoriatic; immunomodulator | |
| 16-epivincamine | alkaloid | metabolite | |
| tropacocaine | tropacocaine: RN given refers to (exo)-isomer; structure | ||
| epipinoresinol | epipinoresinol : An enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration. | pinoresinol | marine metabolite; plant metabolite |
| chalcone | trans-chalcone : The trans-isomer of chalcone. | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| teucrol | teucrol: from Teucrium pilosum; structure in first source | ||
| piplartine | piplartine: Antineoplastic Agent, Phytogenic; alkaloid from Piper; structure in first source | cinnamamides; dicarboximide | |
| fumaronitrile | |||
| 7-methoxyisoflavone | 7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7. | 7-methoxyisoflavones | |
| retinaldehyde | all-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry. Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer. | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
| piperine | piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
| delta-8-tetrahydrocannabinol | 1-benzopyran | ||
| retinol acetate | retinol acetate: structure given in first source | acetate ester | |
| squalene | Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| 2'-hydroxychalcone | 2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'. | chalcones; phenols | anti-inflammatory agent |
| 2,2'-dihydroxychalcone | 2,2'-dihydroxychalcone: an antineoplastic agent; structure in first source | ||
| isoliquiritigenin | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist | |
| phenyl-n-tert-butylnitrone | phenyl-N-tert-butylnitrone: a spin-trapping agent | ||
| xanthohumol | xanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. xanthohumol: from hop plant, Humulus lupulus | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
| 2,4,4'-trihydroxydeoxybenzoin | 2,4,4'-trihydroxydeoxybenzoin: structure in first source | ||
| dibenzylidene acetone | dibenzylidene acetone: structure in first source | ||
| 4-stilbazole | 4-stilbazole: RN given refers to parent cpd; structure | ||
| ilepcimide | ilepcimide: structure given in first source; RN given refers to compound with no isomeric designation | benzodioxoles | |
| dibromobutenediol | |||
| 2-methoxycinnamaldehyde | 2-methoxycinnamaldehyde: inhibits growth & mycotoxin production in fungi; structure | cinnamaldehydes | |
| 1,4-diphenylbutadiene | styrenes | ||
| 4'-methoxychalcone | 4'-methoxychalcone: RN given refers to compound with no isomeric designation | chalcones | |
| butylidenephthalide | 2-benzofurans; gamma-lactone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite | |
| xanthoangelol | xanthoangelol: from Angelica keiskei; structure given in first source; RN given refers to (E,E)-isomer | ||
| alpha-cyanocinnamate | alpha-cyanocinnamate: RN given refers to cpd without isomeric designation | ||
| Methylenedioxycinnamic acid | hydroxycinnamic acid | ||
| sorbic acid | (2E,4E)-hexa-2,4-dienoic acid : A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity. sorbic acid : A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. Sorbic Acid: Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses. | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
| rauwolscine | Rauwolscine: A stereoisomer of yohimbine. | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
| ricinoleic acid | ricinoleic acid : A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. ricinoleic acid: RN given refers to (R-(Z))-isomer; structure in Merck Index, 9th ed, #8005 | (9Z)-12-hydroxyoctadec-9-enoic acid | |
| nerol | nerol : The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. | 3,7-dimethylocta-2,6-dien-1-ol | fragrance; plant metabolite; volatile oil component |
| cannabidiol | cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. Cannabidiol: Compound isolated from Cannabis sativa extract. | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
| lypressin | Lypressin: The porcine antidiuretic hormone (VASOPRESSINS). It is a cyclic nonapeptide that differs from ARG-VASOPRESSIN by one amino acid, containing a LYSINE at residue 8 instead of an ARGININE. Lys-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE. | cyclic peptide | |
| gw9662 | 2-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand binding | benzamides | |
| cgp 60474 | substituted aniline | ||
| s 1033 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | |
| calmidazolium | calmidazolium chloride : The organic choride salt of calmidazolium. | organic chloride salt | apoptosis inducer; calmodulin antagonist |
| triiodothyronine, reverse | 3,3',5'-triiodothyronine; amino acid zwitterion | ||
| acetyl-aspartyl-glutamyl-valyl-aspartal | Ac-Asp-Glu-Val-Asp-H : A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7. acetyl-aspartyl-glutamyl-valyl-aspartal: a capase inhibitor | tetrapeptide | protease inhibitor |
| 3,6-dimethoxy-9H-carbazole | carbazoles | ||
| N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide | organonitrogen compound; organooxygen compound | ||
| 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one | benzothiazoles | ||
| 2-(2,5-dimethoxyphenyl)-5-(5-methyl-2-furanyl)-1,3,4-oxadiazole | dimethoxybenzene | ||
| 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid | glutamic acid derivative | ||
| 2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester | aromatic carboxylic acid; pyridines | ||
| N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide | anilide | ||
| N-(3H-benzimidazol-5-yl)-2-furancarboxamide | benzimidazoles | ||
| 1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazine | piperazines | ||
| 2-[[1-oxo-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]ethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 3-[3-(2-methoxyphenoxy)propyl]-1,3-benzothiazol-2-one | benzothiazoles | ||
| 9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide | benzothiazine | ||
| 3-chloro-1-cyclohexyl-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione | maleimides; piperazines | ||
| N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamide | aromatic amide; furans | ||
| 3-amino-5-methoxy-2-benzofurancarboxylic acid methyl ester | benzofurans | ||
| N,N-dimethyl-6-phenyl-3-pyridazinamine | pyridazines; ring assembly | ||
| 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide | benzothiazoles | ||
| 5-hydroxy-N,N-dimethyl-2-phenyl-3-benzofurancarboxamide | benzofurans | ||
| N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide | sulfonamide | ||
| N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide | anilide | ||
| 8-[(1-cyclohexyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol | azabicycloalkane | ||
| N-(1,3-benzothiazol-2-yl)-N-methylbenzamide | benzothiazoles | ||
| 6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one | quinolines | ||
| 2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole | benzimidazoles | ||
| 2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-one | heteroarene | ||
| 3-[5-(4-ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester | tetrazoles | ||
| 3-methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione | oxopurine | ||
| N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| N-[2-(3-acetamidophenyl)-3H-benzimidazol-5-yl]acetamide | benzimidazoles | ||
| 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine | dialkylarylamine; tertiary amino compound | ||
| 2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide | benzotriazoles | ||
| N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 1-methyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester | piperazines | ||
| 4-methyl-N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]benzamide | benzamides | ||
| 1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinoline | quinolines | ||
| 5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | indolyl carboxylic acid | ||
| N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4-triazolecarboxamide | benzodioxoles | ||
| 2-[(3-ethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide | quinolines | ||
| 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydroisoxazole-5-carboxamide | anilide | ||
| 1-(ethylamino)-3-[3-(ethylamino)-2-hydroxypropoxy]-2-propanol | amino alcohol | ||
| N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamide | amidobenzoic acid | ||
| N-[3-(4-morpholinyl)propyl]-2-oxo-1-benzopyran-3-carboxamide | coumarins | ||
| 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine | piperazines | ||
| 2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone | N-arylpiperazine | ||
| 2-[(2-methoxy-1-oxoethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester | thiophenecarboxylic acid | ||
| N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide | amidobenzoic acid | ||
| N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide | imidazopyridine | ||
| N-(3-dibenzofuranyl)-4-morpholinecarboxamide | dibenzofurans | ||
| N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide | aminoquinoline | ||
| N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide | anilide | ||
| 8-[2-(4-methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane | pyrimidines | ||
| N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea | quinolines | ||
| 2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | benzenes | ||
| N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide | anilide | ||
| 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one | quinolines | ||
| N-cyclopropyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide | sulfonamide | ||
| 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide | benzimidazoles | ||
| 2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole | methoxybenzenes | ||
| N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine | dialkylarylamine; tertiary amino compound | ||
| N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine | quinazolines | ||
| 3-[(2-fluorophenyl)methyl]-5-propyl-N-(pyridin-4-ylmethyl)-7-triazolo[4,5-d]pyrimidinamine | triazolopyrimidines | ||
| 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanone | piperazines | ||
| 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide | 1,3-oxazoles | ||
| 2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol | pyrazoles; ring assembly | ||
| 1-(4-chlorophenyl)-N-(2-furanylmethyl)-N-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]methanamine | aromatic amine | ||
| N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide | benzothiazoles | ||
| 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone | piperazines | ||
| [4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
| 3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide | piperazines | ||
| (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methanone | carbazoles | ||
| 1-[1-[[1-[(4-methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole | benzotriazoles | ||
| [4-[2-(3-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide | benzodioxine | ||
| 2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide | quinazolines | ||
| N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide | benzothiazoles | ||
| 4-methyl-N-(2-methyl-5-tetrazolyl)benzamide | benzamides | ||
| N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 2-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole | aryl sulfide | ||
| 8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione | oxopurine | ||
| 1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazine | piperazines | ||
| 9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide | aromatic amide; quinolines | ||
| 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone | pyridazines; ring assembly | ||
| N-[3-chloro-4-(4-morpholinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester | pyrazoles; ring assembly | ||
| 4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine | thiazoles | ||
| 6-methoxy-3-[[[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one | quinolines | ||
| 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone | quinazolines | ||
| 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester | aryl sulfide | ||
| 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol | N-arylpiperazine | ||
| 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester | dichlorobenzene | ||
| N-[2-(4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]-2-furancarboxamide | peptide | ||
| N-(3-methyl-2-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide | benzofurans | ||
| N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide | anilide | ||
| 1-[(1-cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine | piperazines | ||
| 2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide | imidazoles | ||
| N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester | carbamate ester | ||
| cefsulodin | cefsulodin : A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic. Cefsulodin: A pyridinium-substituted semisynthetic, broad-spectrum antibacterial used especially for Pseudomonas infections in debilitated patients. | cephalosporin; organosulfonic acid; primary carboxamide | antibacterial drug |
| trilostane | trilostane : An epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions. trilostane: inhibits conversion of pregnenolone to progesterone; adrenal blocking agent used in treatment of Cushing's syndrome | 17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile | abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
| omapatrilat | omapatrilat: structure in first source | dipeptide | |
| lanatoside c | lanatoside C: RN given refers to (3beta,5beta,12beta)-isomer | ||
| polidocanol | polidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group. Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS. | hydroxypolyether | hepatotoxic agent; nonionic surfactant; sclerotherapy agent |
| cefsulodin sodium | organic molecular entity | ||
| tropisetron | tropisetron : An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. Tropisetron: An indole derivative and 5-HT3 RECEPTOR antagonist that is used for the prevention of nausea and vomiting. | indolyl carboxylic acid | |
| benidipine hydrochloride | |||
| iaa 94 | indanones | ||
| ly382884 | benzoic acids | ||
| xe 991, anthracenone | 10,10-bis(4-pyridinylmethyl)-9(10H)-anthracenone: neurotransmitter release enhancer and potassium channel blocker; structure given in first source | anthracenes | |
| l 364373 | benzodiazepine | ||
| cocaine hydrochloride | cocaine hydrochloride : The hydrochloride salt of cocaine. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. | hydrochloride | central nervous system stimulant; local anaesthetic |
| isopropyl thiogalactoside | isopropyl beta-D-thiogalactopyranoside : An S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur. Isopropyl Thiogalactoside: A non-metabolizable galactose analog that induces expression of the LAC OPERON. | S-glycosyl compound | |
| erb 041 | ERB 041: an estrogen receptor beta agonist; structure in first source | ||
| tiamulin | tiamulin : A carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae. tiamulin: 81723 HFU and tiamutin are for fumarate salt; prevents senescence in ascomycete; pleuromutilin derivative; RN given refers to ((3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-isomer | carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid | antibacterial drug |
| methylthio-dadme-immucillin-a | |||
| N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamide | sulfonamide | ||
| diethylstilbestrol dipropionate | diethylstilbestrol dipropionate: RN given refers to parent cpd | ||
| fludarabine | purine nucleoside | ||
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
| dithizone | Dithizone: Chelating agent used for heavy metal poisoning and assay. It causes diabetes. | ||
| ipratropium | |||
| methamilane methiodide | |||
| n(6)-cyclopentyladenosine | |||
| 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one | quinazolines | ||
| N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide | aromatic amide | ||
| 5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
| LSM-19776 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4h-chromene | 2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4H-chromene: induces apoptosis; structure in first source | ||
| 5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide | benzothiazine | ||
| 1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid | quinolines | ||
| 5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
| 3-(5-cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acid | thiazolidines; thiocarbonyl compound | ||
| N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2,2-bis(trifluoromethyl)butanamide | aromatic amide | ||
| N-(3-methoxyphenyl)-2-(2-pyridinylthio)acetamide | anilide | ||
| 1-[(1,3-benzothiazol-2-ylthio)methyl]-2-azepanone | benzothiazoles | ||
| 2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]benzamide | amidobenzoic acid | ||
| 2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
| N-[1-(1-hexyl-2-benzimidazolyl)ethyl]-2-furancarboxamide | benzimidazoles | ||
| 4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl ester | benzofurans | ||
| 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester | alpha-amino acid ester | ||
| 5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
| 1-phenyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 5-bromo-3-ethyl-1H-indole-2-carboxylic acid | indolyl carboxylic acid | ||
| 2-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester | alpha-amino acid ester | ||
| 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine | pyrimidines | ||
| arachin | |||
| N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide | anilide | ||
| 5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine | dimethoxybenzene | ||
| 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester | pyrimidinecarboxylic acid | ||
| 3-[(2,6-dichlorophenyl)methylthio]-4-methyl-5-thiophen-2-yl-1,2,4-triazole | dichlorobenzene | ||
| 4-(2-furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one | pyrrolopyrazole | ||
| 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol | dichlorobenzene | ||
| N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide | quinolines | ||
| cardionogen-2 | |||
| 6-(4-methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | triazolothiadiazole | ||
| 6-cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole | cardionogen-1 : A triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment. | furans; triazolothiadiazole | Wnt signalling inhibitor |
| 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)-4-oxazolecarbonitrile | isoquinolines | ||
| 1-(2,1,3-benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone | benzoxadiazole | ||
| 5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
| 4-(1H-benzimidazol-2-ylmethylthio)-2-methylbenzofuro[3,2-d]pyrimidine | benzimidazoles | ||
| LSM-19719 | pyrazoles; ring assembly | ||
| (4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanone | aromatic ketone | ||
| 1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide | pyrrolidines | ||
| 3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dione | aromatic ketone | ||
| 3-phenyl-1H-cinnolin-4-one | pyridazines; ring assembly | ||
| 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | beta-carbolines | ||
| 4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile | triazoles | ||
| N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester | dichlorobenzene | ||
| 3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide | oxadiazole; ring assembly | ||
| 2-amino-4-(2-furanyl)-6-(2-pyridinyl)-3-pyridinecarbonitrile | bipyridines | ||
| N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide | aromatic amide; heteroarene | ||
| 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide | oxadiazole; ring assembly | ||
| 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile | pyrazoles; ring assembly | ||
| 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid | 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid: structure given in first source | ||
| 1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide | organonitrogen compound; organooxygen compound | ||
| hl 725 | |||
| N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide | benzimidazoles | ||
| 4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione | piperazines | ||
| 5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide | pyrimidines | ||
| N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide | benzoxazine | ||
| 5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(2,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione | pyrrolidines | ||
| 3-methyl-6-(1-naphthalenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | naphthalenes; triazolothiadiazole | ||
| 4,9-dimethyl-3-(2H-tetrazol-5-ylmethoxy)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one | coumarins | ||
| 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione | oxopurine | ||
| 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione | quinoxaline derivative | ||
| 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzodioxine; triazolothiadiazole | ||
| chlorprothixene | (E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration. | chlorprothixene | |
| chlorprothixene | (Z)-chlorprothixene : A chlorprothixene in which the double bond adopts a (Z)-configuration. Chlorprothixene: A thioxanthine with effects similar to the phenothiazine antipsychotics. | chlorprothixene | |
| dienestrol | dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively. Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms. | ||
| mercaptopurine | mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis. Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. purine-6-thiol : A thiol that is the tautomer of mercaptopurine. | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
| methisazone | Methisazone: An antiviral agent effective against pox viruses. | ||
| vasicine | vasicine: RN given refers to (R)-isomer | ||
| sb 366791 | N-(3-methoxyphenyl)-4-chlorocinnamanilide: a TRPV1 antagonist; structure in first source | ||
| ag-213 | tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells; | ||
| 3,3',4,5'-tetrahydroxystilbene | 3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
| 4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | aromatic ether | ||
| N-(3-acetamidophenyl)-3-chlorobenzamide | benzamides | ||
| 4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide | benzamides | ||
| 2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamide | carbonyl compound; organohalogen compound | ||
| bemesetron | |||
| 3,4-methylenedioxy-beta-nitrostyrene | 3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source | ||
| 1-(4-amino-2-methyl-3-quinolinyl)ethanone | aminoquinoline | ||
| N-[4-(diethylamino)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| N-(2-furanylmethyl)-2-benzofurancarboxamide | benzofurans | ||
| 7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one | coumarins | ||
| benzoylacrylic acid | benzoylacrylic acid: structure in first source | ||
| thioinosine | Thioinosine: Sulfhydryl analog of INOSINE that inhibits nucleoside transport across erythrocyte plasma membranes, and has immunosuppressive properties. It has been used similarly to MERCAPTOPURINE in the treatment of leukemia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p503) | ||
| 7,8,3'-trihydroxyflavone | 7,8,3'-trihydroxyflavone: a potent small molecule TrkB receptor agonist that protects spiral ganglion neurons from degeneration both in vitro and in vivo | ||
| phenylthiourea | N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless. | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
| 1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)urea | pyridines | ||
| te 5 | |||
| 4-methyl-N-[4-(4-morpholinyl)phenyl]benzamide | benzamides | ||
| (e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide | 3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide: a vanilloid receptor 1 antagonist and antihyperalgesic agent; structure in first source | ||
| sch-202676 | SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source | ||
| 5-(1,3-benzodioxol-5-yl)-2-[(2-chloro-6-fluorophenyl)methyl]tetrazole | benzodioxoles | ||
| 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea | thioureas | ||
| 4-methoxy-N-(3-pyridinylmethyl)benzamide | benzamides | ||
| (S)-(-)-pindolol | pindolol | ||
| levosulpiride | (S)-(-)-sulpiride : An optically active form of sulpiride having (S)-configuration. The active enantiomer of the racemic drug sulpiride. Selective D2-like dopamine antagonist (Ki values are ~ 0.015. ~ 0.013, 1, ~ 45 and ~ 77 muM at D2, D3, D4, D1 and D5 receptors respectively). | sulpiride | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
| L-histidine 2-naphthylamide | L-histidine 2-naphthylamide : An L-histidine derivative that is the amide obtained by formal condensation of the carboxy group of L-histidine with the amino group of 2-naphthylamine. | amino acid amide; L-histidine derivative; N-(2-naphthyl)carboxamide | chromogenic compound |
| ritodrine | (1S,2R)-ritodrine : A 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol that has (1S,2R)-configuration. | 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol | |
| aceglatone | |||
| 3,6-dihydroxyflavone | 3,6-dihydroxyflavone: induces apoptosis in leukemia HL-60 cells; structure in first source | ||
| 6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one | ether; flavonoids | ||
| 3',4'-dimethoxyflavone | |||
| 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1-benzopyran-4-one | flavones | ||
| 7,8,4'-trihydroxyflavone | |||
| 6-methylflavone | 6-methylflavone: structure in first source | ||
| caffeic acid | trans-caffeic acid : The trans-isomer of caffeic acid. | caffeic acid | geroprotector; mouse metabolite |
| methyl caffeate | methyl caffeate : An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. methyl caffeate: from plant Gaillardia pulchella | alkyl caffeate ester; methyl ester | |
| 2-methoxy-N-(2-pyridinyl)benzamide | benzamides | ||
| 2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 3-(4-methylbenzoyl)acrylic acid | carbonyl compound | ||
| N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine | aralkylamine | ||
| 1-(4-Methoxyphenyl)-2-nitroethylene | 4-methoxy-beta-nitrostyrene: has vasodilator activity; structure in first source | methoxybenzenes | |
| captax | 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. captax: RN given refers to parent cpd | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
| 1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanone | thienopyridine | ||
| 4-thiomorpholinecarbodithioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester | aromatic ketone | ||
| 4-methoxycinnamic acid | cinnamic acids | ||
| 1,6-anhydro-3,4-dideoxy-beta-d-glycero-hex-3-enopyran-2-ulose | 1,6-anhydro-3,4-dideoxyhex-3-enopyran-2-ulose: structure in first source | anhydrohexose; deoxyketohexose | |
| 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| diphenylthiourea | N,N'-diphenylthiourea : Thiourea in which each nitrogen carries a phenyl substituent. | thioureas | allergen |
| n-phenyl-n'-2-pyridylthiourea | N-phenyl-N'-2-pyridylthiourea: structure in first source | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide | benzodioxine | ||
| 4-chloro-1-methyl-3-nitro-2-quinolinone | nitro compound; quinolines | ||
| 4-phenylbenzoic acid (propan-2-ylideneamino) ester | biphenyls | ||
| rg108 | RG108: DNA methyltransferase inhibitor; structure in first source | indolyl carboxylic acid | |
| nitrofurylacrylic acid | |||
| 5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester | benzodioxoles | ||
| N-(2-furanylmethyl)-3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| ceefourin 1 | ceefourin 1: inhibits multidrug resistance protein 4; structure in first source | ||
| stf 62247 | STF 62247: has antineoplastic activity; structure in first source | substituted aniline | |
| 1-(2-methoxyphenyl)-3-(2-pyridinyl)thiourea | thioureas | ||
| 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine | 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine : A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group. | aryl sulfide; benzenes; thienopyrimidine | |
| N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 3-methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone | quinazolines | ||
| 5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidine-4-thione | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 3-[(2,4-dichlorophenyl)methylthio]-1,2,4-thiadiazol-5-amine | dichlorobenzene | ||
| 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one | pyrazoles; ring assembly | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamide | quinazolines | ||
| 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | benzenes; nitrile | ||
| 4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine | methoxybenzenes; substituted aniline | ||
| N-(5-methyl-3-isoxazolyl)-1,3-benzodioxole-5-carboxamide | benzodioxoles | ||
| 10-methyl-3-phenothiazinamine | phenothiazines | ||
| phenylthiazolylthiourea | Phenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor. | ||
| 3-(1-azepanyl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dione | maleimides | ||
| 4-amino-5-(pyridin-4-yl)-4h-1,2,4-triazole-3-thiol | 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol: a ligand of some antineoplastic metal complexes; structure in first source | ||
| vu0038882 | VU0038882: structure in first source | ||
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide | benzamides | ||
| 2-[(3-methyl-2-thiophenyl)methylidene]indene-1,3-dione | cyclic ketone; indanones | ||
| 5-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| N-(2,5-dimethylphenyl)-2-benzofurancarboxamide | aromatic amide; furans | ||
| N-(4-methoxyphenyl)-2-benzofurancarboxamide | aromatic amide; furans | ||
| 4,5-dimethylaminobenzylidene-2-thiobarbituric acid | |||
| 2-(thiophen-2-ylmethylidene)indene-1,3-dione | cyclic ketone; indanones | ||
| N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-furancarboxamide | aromatic amide; heteroarene | ||
| pseudoginsenoside f11 | |||
| 2-phenylmethoxy-1-naphthalenecarboxaldehyde | naphthalenes | ||
| 3,4,5-trimethoxycinnamic acid | 3,4,5-trimethoxycinnamic acid : A methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. | ||
| 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester | aromatic amine; thiophenes | ||
| alpha-naphthyl thiourea | alpha-naphthyl thiourea: structure | naphthalenes | |
| 2-amino-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
| ethyl ferulate | ethyl ferulate: structure in first source | ||
| krm iii | |||
| 2-(4-hydroxyanilino)-1,4-naphthoquinone | 2-(4-hydroxyanilino)-1,4-naphthoquinone: structure in first source | ||
| 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea | ureas | ||
| 5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl ester | pyrazolopyridine | ||
| 8-(2,5-dimethylphenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione | oxopurine | ||
| 1-cyclohexyl-3-(2-phenylethyl)urea | benzenes | ||
| 3-[(4,8-dimethyl-2-quinolinyl)thio]propanoic acid | quinolines | ||
| acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester | benzoxazine | ||
| 3-pyridinecarboxylic acid (5-chloro-8-quinolinyl) ester | organochlorine compound; quinolines | ||
| N-(4-methoxyphenyl)carbamic acid (9-fluorenylideneamino) ester | fluorenes | ||
| N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide | aromatic amide | ||
| 4-methyl-2-(2-naphthalenyl)-1-phthalazinone | phthalazines | ||
| nsc185058 | NSC185058: an ATG4B antagonist | ||
| 2-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole | aryl sulfide | ||
| 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile | quinolines | ||
| N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamide | imidazoles | ||
| vu0099704 | VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source | ||
| 4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol | substituted aniline | ||
| 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine | triazoles | ||
| 2-(5,7-dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester | pyrazoles; ring assembly | ||
| N-(3,4-dimethoxyphenyl)-4-methoxybenzamide | benzamides | ||
| cid755673 | CID755673: a potent and selective inhibitor of protein kinase D; structure in first source | benzofurans | |
| 2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole | organofluorine compound | ||
| 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone | isoquinolines | ||
| N-(4-anilinophenyl)-2,2,2-trichloroacetamide | anilide | ||
| N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide | triazoles | ||
| 3-(2-phenoxyethyl)-1H-benzimidazole-2-thione | benzimidazoles | ||
| 2,4,6-trimethyl-n-(meta-3-trifluoromethylphenyl)benzenesulfonamide | 2,4,6-trimethyl-N-(meta-3-trifluoromethylphenyl)benzenesulfonamide: stimulates phospholipase C; structure in first source | sulfonamide | |
| N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide | aromatic amide | ||
| 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione | thioureas | ||
| 2-(2-phenylethyl)-1,3-benzoxazol-5-amine | benzoxazole | ||
| N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | naphthalenecarboxamide | ||
| N-(4-methyl-2-thiazolyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide | benzothiazoles | ||
| 1-(3-((2',4'-Dimethyl-[4,5'-bithiazol]-2-yl)amino)phenyl)ethanone | aromatic ketone | ||
| N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 1-(4,5-dihydrothiazol-2-yl)-3-phenylurea | ureas | ||
| 3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione | benzimidazoles | ||
| N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzamide | benzamides | ||
| 4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazinecarboxaldehyde | pyrimidines | ||
| 6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine | diamino-1,3,5-triazine | ||
| 2-(8-quinolinylthio)acetic acid phenacyl ester | aromatic ketone | ||
| 4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamide | benzimidazoles | ||
| 1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | aromatic compound | ||
| 1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thione | isoquinolines | ||
| 2-(1-methyl-2-phenyl-3-indolyl)ethanol | phenylindole | ||
| N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide | benzamides | ||
| 3-(4-methylphenyl)sulfonyl-1,3-benzoxazol-2-one | benzoxazole | ||
| 4-chloro-N-(4-methyl-2-thiazolyl)-2-nitrobenzamide | carbonyl compound; organohalogen compound | ||
| N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide | imidazoles | ||
| 2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
| 1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol | naphthols | ||
| 2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | aryl sulfide | ||
| 1-[[2-(3-methylanilino)-1-oxoethyl]amino]-3-phenylthiourea | organonitrogen compound; organooxygen compound | ||
| [5-(4-nitrophenyl)-2-furanyl]-(1-piperidinyl)methanone | N-acylpiperidine | ||
| N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine | dialkylarylamine; tertiary amino compound | ||
| 2-bromo-N-(3-methoxyphenyl)benzamide | benzamides | ||
| 3-chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione | maleimides | ||
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol | aromatic ether; C-nitro compound | ||
| 4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester | aromatic ether | ||
| 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole | aromatic ether | ||
| [4-(2-methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione | piperazines | ||
| 4-chloro-1-ethyl-3-nitro-2-quinolinone | nitro compound; quinolines | ||
| [4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione | aromatic ether | ||
| 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea | thioureas | ||
| 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole | benzimidazoles | ||
| 2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone | stilbenoid | ||
| 5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| 3-(4-chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione | thioureas | ||
| 2-[4-(4-fluorophenyl)-2-thiazolyl]-5-methyl-4H-pyrazol-3-one | thiazoles | ||
| 3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole | naphthalenes; sulfonic acid derivative | ||
| 1-(4-bromophenyl)-3-(2-phenylethyl)thiourea | thioureas | ||
| 5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 5-(4-chlorophenyl)-2-furanpropionic acid | 5-(4-chlorophenyl)-2-furanpropionic acid: related to orpanoxin; structure given in first source | ||
| N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide | isoquinolines | ||
| 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine | benzoxazole | ||
| 3-methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione | oxopurine | ||
| 4-iodo-6-phenylpyrimidine | 4-iodo-6-phenylpyrimidine : A member of the class of pyrimidines carrying iodo and phenyl substituents at positions 4 and 6 respectively. 4-iodo-6-phenylpyrimidine: acts on macrophage migration inhibitory factor; structure in first source | biaryl; organoiodine compound; pyrimidines | antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor |
| 3-hydroxyquinolin-2(1h)-one | 3-hydroxyquinolin-2(1H)-one: structure in first source dihydroxyquinoline : Any hydroxyquinoline in which the number of hydroxy substituents is specified as two. | hydroxyquinoline; quinolone | |
| N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester | toluenes | ||
| 2-oxo-N-(2-thiazolyl)-1H-pyridine-3-carboxamide | pyridinecarboxamide | ||
| 6-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester | phenylpyridine | ||
| 2-methyl-N-(2-naphthalenyl)-3-furancarboxamide | naphthalenes | ||
| N-[(4-fluoroanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | thioureas | ||
| N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide | C-nitro compound; furans | ||
| (2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) | benzimidazoles | ||
| 7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2h-(1,4)-benzodiazepine-2-thione | 7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione: structure given in first source | ||
| 1-(3-chlorophenyl)-3-(phenylmethyl)thiourea | thioureas | ||
| 2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamide | pyridinecarboxamide | ||
| 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one | pyrazoles; ring assembly | ||
| 5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole | aromatic ether | ||
| 4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol] | sulfonic acid derivative | ||
| 3-ethoxy-N-[(3-pyridinylamino)-sulfanylidenemethyl]benzamide | benzoic acids | ||
| N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamide | benzodioxoles | ||
| 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acid | aromatic amide; furans | ||
| 2-ethoxy-N-(2-hydroxyphenyl)benzamide | benzamides | ||
| 2-phenyl-1H-quinazoline-4-thione | quinazolines | ||
| 3-amino-5-phenyl-2-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
| N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine | benzothiazoles | ||
| N-[4-(4-chlorophenyl)-3,5-dimethyl-2-thiazolylidene]-2-furancarboxamide | furoic acid | ||
| 2-(ethylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | quinazolines | ||
| 2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester | aromatic amine; isopropyl ester; tertiary carboxamide; thiophenes | ||
| 1-azepanyl-(4-methoxyphenyl)methanethione | methoxybenzenes | ||
| N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide | primary carboxamide; pyrazines; secondary carboxamide | ||
| N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide | benzodioxoles | ||
| N-(2-bromo-4-methylphenyl)-5-ethyl-3-thiophenecarboxamide | aromatic amide | ||
| 2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide | benzamides | ||
| 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione | benzenes | ||
| 1-(3-methylphenyl)-3-[[oxo-(5-propyl-3-thiophenyl)methyl]amino]thiourea | aromatic amide; thiophenes | ||
| 3-(1-benzothiophen-3-yl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 4-(3-methylphenyl)-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 3-(2-methyl-3-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide | C-nitro compound; furans | ||
| N-(2-chlorophenyl)-5-nitro-2-furancarboxamide | aromatic amide; furans | ||
| 3-[[(4-methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester | benzamides | ||
| 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea | benzodioxine | ||
| 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline | aryl sulfide | ||
| N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide | indoles | ||
| 2-[(2-chlorophenoxy)methyl]benzoic acid | benzoic acids | ||
| LSM-31933 | pyridopyrimidine | ||
| 1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea | methoxybenzenes; substituted aniline | ||
| 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide | sulfonamide | ||
| js 3 | |||
| 6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzenes; triazolothiadiazole | ||
| 2-(3-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole | (trifluoromethyl)benzenes | ||
| 5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester | pyrazoles; ring assembly | ||
| 4,4-dicarboxy-5-pyridoxylproline | |||
| N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide | benzodioxine | ||
| isoeugenol | trans-isoeugenol : The trans-stereoisomer of isoeugenol. | isoeugenol | plant metabolite |
| 6-amino-2-mercaptobenzothiazole | |||
| n-phenyl-n'-3-hydroxyphenylthiourea | |||
| huperzine a | organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite | |
| 5-(4-methylphenyl)-2-phenyl-3-pyrazolamine | pyrazoles; ring assembly | ||
| 5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-1-benzopyran-2-one | coumarins | ||
| 5-(4-fluorophenyl)-2-thiophen-2-yloxazole | 1,3-oxazoles | ||
| 4-[[[2-(3-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester | benzoate ester | ||
| 5-(4-propan-2-ylphenyl)-2H-tetrazole | tetrazoles | ||
| 1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine | aminoquinoline | ||
| 2-(4-methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole | methoxybenzenes | ||
| (4-(3-chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone | (4-(3-chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone: structure in first source | ||
| 4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester | benzoate ester | ||
| 3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione | naphthofuran | ||
| 3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamide | carbonyl compound; organohalogen compound | ||
| N-(1,3-benzodioxol-5-yl)-4-(4-morpholinylmethyl)benzamide | benzodioxoles | ||
| 4-(3,4-dimethylphenyl)-5-phenyl-2-thiazolamine | thiazoles | ||
| N-(2,4-dichlorophenyl)-1-piperidinecarbothioamide | thioureas | ||
| 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide | thioureas | ||
| 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone | aromatic ketone | ||
| 3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 2-(2-phenylethylthio)-3-pyridinecarboxylic acid | aromatic carboxylic acid; pyridines | ||
| 4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide | N-arylpiperazine | ||
| N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide | thioureas | ||
| 4-(2,4-dimethylphenyl)-2H-phthalazin-1-one | pyridazines; ring assembly | ||
| 5-(2-furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
| 1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea | aromatic ether | ||
| N-[anilino(sulfanylidene)methyl]-5-bromo-2-furancarboxamide | thioureas | ||
| N-(3-methoxyphenyl)-3-[(4-methylphenyl)thio]propanamide | anilide | ||
| 3-[5-(4-fluorophenyl)-1-(2-furanylmethyl)-2-pyrrolyl]propanoic acid | pyrroles | ||
| 3-[5-(4-methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acid | pyrroles | ||
| N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide | sulfonamide | ||
| 3-[1-(4-acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid | aromatic ketone | ||
| N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide | acetamides | ||
| 4-acetamidobenzoic acid (2-chlorophenyl)methyl ester | amidobenzoic acid | ||
| N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide | thiazoles | ||
| 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-methyl-1-propanone | piperazines | ||
| N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine | diamino-1,3,5-triazine | ||
| 4-[[(2-methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl ester | aromatic amide | ||
| N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide | aromatic amide | ||
| 2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide | anilide | ||
| 2-(2-methoxyphenyl)-1H-indole | phenylindole | ||
| 1-(6,8-dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone | pyrroloquinoline | ||
| 2-(4-chloro-2-methylanilino)-3-pyridinecarboxamide | pyridinecarboxamide | ||
| 4-methoxy-6-phenyl-1H-pyrimidine-2-thione | pyrimidines | ||
| 4-(1-oxopropylamino)benzoic acid (2-chlorophenyl)methyl ester | amidobenzoic acid | ||
| N-(4,5-dimethyl-2-thiazolyl)cyclohexanecarboxamide | thiazoles | ||
| 5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide | aromatic ether | ||
| 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid | psoralens | ||
| 1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| 5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester | benzofurans | ||
| 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole | phenylpyridine | ||
| 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| CHIC-35 | CHIC-35 : An organic heterotricyclic compound resulting from the formal fusion of the 2-3 bond of 5-chloroindole with the 2-3 bond of cycloheptanecarboxamide (the S enantiomer). It is a potent, cell-permeable, metabolically stable and selective inhibitor of the deacetylase SIRT1. | aromatic compound; organic heterotricyclic compound; organochlorine compound; primary carboxamide | EC 3.5.1.98 (histone deacetylase) inhibitor |
| 7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester | coumarins | ||
| 7,8-dichloropyrido[1,2-a]benzimidazole | pyridobenzimidazole | ||
| N'-(1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide | carbonyl compound; organohalogen compound | ||
| 4-methoxy-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide | benzoic acids | ||
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | aromatic ether | ||
| parthenolide, (1ar-(1ar*,4e,7as*,10as*,10br*))-isomer | germacranolide | ||
| 2-(2-cyclohexylidenehydrazinyl)-1-cyclohepta-2,4,6-trienone | cyclic ketone | ||
| N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamide | naphthalenecarboxamide | ||
| 4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide | sulfonamide | ||
| 2-(2-fluorophenyl)-5-(4-methyl-1-piperidinyl)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
| 2-(4-ethoxyanilino)-3-methoxynaphthalene-1,4-dione | 1,4-naphthoquinones | ||
| 3-[(2-chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole | aryl sulfide | ||
| 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidobenzofuro[3,2-c]pyridin-2-ium | phenylpyridine | ||
| flunarizine | Flunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy. | diarylmethane | |
| thiothixene | |||
| thiothixene | N-methylpiperazine | anticoronaviral agent | |
| 1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole | aromatic ether | ||
| N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide | benzodioxoles | ||
| 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone | aromatic ketone | ||
| dieldrin | dieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin. Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB) | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
| curcumin | curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes. | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
| N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide | ||
| 3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester | aromatic ketone | ||
| 1-(2,4-dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea | ureas | ||
| N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | acetamides; anilide | ||
| 4-[2-(3-methoxyanilino)-4-thiazolyl]phenol | methoxybenzenes; substituted aniline | ||
| 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolamine | dimethoxybenzene | ||
| 4-(2-naphthalenyloxymethyl)-2-thiazolamine | naphthalenes | ||
| 3-chloro-4-[(1-ethyl-2-benzimidazolyl)thio]aniline | aryl sulfide | ||
| 1-(1-naphthalenylmethoxy)benzotriazole | naphthalenes | ||
| N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide | aromatic amide | ||
| 2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamide | thioureas | ||
| N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide | anilide | ||
| 1-(1-pyrrolidinyl)-2-(8-quinolinylthio)ethanone | quinolines | ||
| N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine | methoxybenzenes; substituted aniline | ||
| 1-(4-bromophenyl)-3-(2-fluorophenyl)thiourea | thioureas | ||
| 1-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)thiourea | thioureas | ||
| 5-(5-bromo-2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide | sulfonamide | ||
| cct018159 | CCT-018159 : A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively. CCT018159: structure in first source | benzodioxine; pyrazoles; resorcinols | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
| stf-31 | STF-31: antineoplastic | ||
| 1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide | piperidinecarboxamide | ||
| 2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamide | imidazoles | ||
| umi-77 | UMI-77: an Mcl-1 inhibitor; structure in first source | ||
| 1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thiourea | benzoic acids | ||
| 6-(4-benzoyl-1-piperazinyl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile | piperazines; pyridines | ||
| 1-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-phenylurea | quinolines | ||
| 2-[(5-bromo-2-thiophenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide | sulfonamide | ||
| 2-(3-bromophenyl)-N-(4,5-dihydrothiazol-2-yl)-4-quinolinecarboxamide | quinolines | ||
| 1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-fluorophenyl)thiourea | dichlorobenzene | ||
| tenovin-1 | tenovin-1: a SIRT1 inhibitor with antineoplastic activity; structure in first source | thioureas | |
| 2-bromo-N-[2,3-dihydroindol-1-yl(sulfanylidene)methyl]benzamide | carbonyl compound; organohalogen compound | ||
| N-[3-chloro-2-(4-morpholinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | aromatic amide | ||
| 3-(n-benzylsulfamoyl)-4-bromo-n-(4-bromophenyl)benzamide | 3-(N-benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide: stimulates RAD51 DNA-binding activity to promote cancer cell death; structure in first source | ||
| 6-chloro-4-phenyl-3-(1-phenyl-5-tetrazolyl)quinoline | quinolines | ||
| 2-[[benzamido(sulfanylidene)methyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid | CID1067700: a pan-GTPase inhibitor; structure in first source | thienopyran | |
| n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide | N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source | ||
| 3-chloro-1-(3,4-dichlorophenyl)-4-(4-morpholinyl)-1h-pyrrole-2,5-dione | 3-chloro-1-(3,4-dichlorophenyl)-4-(4-morpholinyl)-1H-pyrrole-2,5-dione: an inhibitor of RAD51 that disrupts homologous recombination in human cells; structure in first source | ||
| 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea | ureas | ||
| 8-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane | pyrazoles; ring assembly | ||
| 4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester | benzamides | ||
| 5-(3,4-dimethoxyphenyl)-2-phenyl-4-thieno[2,3-d][1,3]oxazinone | dimethoxybenzene | ||
| 5-amino-4-[anilino(oxo)methyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester | aromatic amide | ||
| N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide | benzimidazoles | ||
| N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide | benzimidazoles | ||
| 5-(3-chlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamide | aromatic amide; heteroarene | ||
| 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide | naphthyridine derivative | ||
| 1-(4-methylphenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
| 1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
| 3-[2-(3-methylphenoxy)ethyl]-1,3-benzothiazol-2-one | benzothiazoles | ||
| 3-[2-(4-methylphenoxy)ethyl]-1,3-benzothiazol-2-one | benzothiazoles | ||
| N-(1,3-benzothiazol-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide | sulfonamide | ||
| [3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone | piperazines | ||
| 5-(4-methylphenyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
| [4-(2-methoxyphenyl)-1-piperazinyl]-[5-(4-methylphenyl)-3-isoxazolyl]methanone | piperazines | ||
| N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
| [4-[[5-(2,4-dichlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone | dichlorobenzene | ||
| 4-chloro-2-[[(1-methyl-5-phenyl-2-imidazolyl)amino]methyl]phenol | imidazoles | ||
| [4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone | diarylmethane | ||
| 6-(4,5-dihydrothiazol-2-ylthio)-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine | diamino-1,3,5-triazine | ||
| 2-[2-oxo-2-(2,2,4,6-tetramethyl-1-quinolinyl)ethyl]isoindole-1,3-dione | quinolines | ||
| hc 030031 | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide: a TRPA1 channel blocker | ||
| N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]benzamide | benzamides | ||
| (E)-4-Phenyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylic acid | thiophenecarboxylic acid | anticoronaviral agent | |
| 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile | dimethoxybenzene | ||
| 5-chloro-4-(4-methylphenyl)sulfonyl-N-phenyl-2-thiazolamine | sulfonic acid derivative | ||
| 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone | pyrroles | ||
| 2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine | morpholines | ||
| 4-(5,6-dimethyl-1-benzimidazolyl)-5-phenylthieno[2,3-d]pyrimidine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 4-(4-ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester | quinazolines | ||
| 4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ethyl ester | quinazolines | ||
| benztropine | benzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine. | diarylmethane | |
| 3-methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl ester | naphthoic acid | ||
| 1-(2-chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone | phenothiazines | ||
| n-(1,3-benzothiazol-2-yl)-n-(4,5-dihydro-1h-imidazol-2-yl)amine | N-(1,3-benzothiazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine: structure in first source | ||
| 9-(dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 4-(3-bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine | pyridazines; ring assembly | ||
| 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine | pyridazines; ring assembly | ||
| N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | aromatic amide | ||
| 5-bromo-2-furancarboxylic acid (3-benzamidophenyl) ester | benzamides | ||
| (4-phenyl-1-piperazinyl)-(9H-xanthen-9-yl)methanone | xanthenes | ||
| [4-(4-fluorophenyl)-1-piperazinyl]-(2-methyl-3-pyrazolyl)methanone | piperazines | ||
| N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazide | carbohydrazide; pyrazines | ||
| 2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide | aromatic ether | ||
| N-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]benzenesulfonamide | sulfonamide | ||
| 3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone | 3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone : A member of the class of pyridones that is 2-pyridone carrying cyano, phenyl and 3-bromo-6-hydroxyphenyl substituents at positions 3, 4 and 6 respectively | bromophenol; nitrile; pyridone | |
| LSM-27108 | quinolines | ||
| 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide | benzisoxazole | ||
| 2-(2,6-diisopropylphenyl)-5-amino-1h-isoindole-1,3-dione | 2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione: an antineoplastic agent; structure in first source | ||
| 2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester | aromatic carboxylic acid; thiazoles | ||
| 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(1-piperidinyl)oxazole | 1,3-oxazoles | ||
| N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide | aromatic amide; thiophenes | ||
| 2-[[(2,3-dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide | dimethoxybenzene | ||
| N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide | organosulfur heterocyclic compound | ||
| N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide | pyridinecarboxamide | ||
| N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide | methoxybenzenes | ||
| [4-(2-methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone | piperazines | ||
| N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamide | aromatic amide | ||
| N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide | benzenes | ||
| 2-[(4-chlorophenyl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide | aryl sulfide | ||
| 5-[[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole | triazoles | ||
| 3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione | 3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione: inhibits ERK1 and ERK2; structure in first source | ||
| 2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamide | benzamides | ||
| LSM-28559 | pyridopyrimidine | ||
| 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine | piperazines | ||
| [4-(2,3-dimethylphenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone | piperazines | ||
| 1-oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrile | indoles | ||
| 2-(1-imidazolyl)-4-phenyl-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine | piperazines | ||
| nootkatone | (+)-nootkatone : A sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer). nootkatone: RN given refers to cpd without isomeric designation; structure given in first source | carbobicyclic compound; enone; sesquiterpenoid | fragrance; insect repellent; plant metabolite |
| 4-aminostilbene | 4-aminostilbene: RN given refers to cpd without isomeric designation | ||
| thiohydantoins | Thiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups. | ||
| 4-(5-methyl-2-furanyl)-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester | amino acid amide | ||
| 2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone | aromatic ether | ||
| 2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 4,6-bis(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine | (trifluoromethyl)benzenes | ||
| 2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamide | thioureas | ||
| 4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide | benzamides | ||
| N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide | aromatic amide | ||
| N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide | benzothiazoles | ||
| 2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide | aromatic ether | ||
| vu0405601 | VU0405601: reduces sensitivity of hERG to inhibition by multiple blockers and prevents arrhythmias; structure in first source | ||
| N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide | coumarins | ||
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | aromatic ether | ||
| N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine | C-nitro compound | ||
| 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide | sulfonamide | ||
| 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester | naphthyridine derivative | ||
| darunavir ethanolate | phenothiazines | ||
| 1-(4-bromophenyl)-3-(3-methylbutyl)thiourea | thioureas | ||
| 4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl ester | benzoate ester | ||
| 3-(1-azepanylsulfonyl)-n-(3-bromphenyl)benzamide | 3-(1-azepanylsulfonyl)-N-(3-bromphenyl)benzamide: a sirtuin 2 inhibitor; structure in first source | ||
| 4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester | carbonyl compound | ||
| N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamide | benzimidazoles | ||
| N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamide | aryl sulfide | ||
| urb 597 | cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester: a fatty acid amide hydrolase inhibitor; structure in first source | biphenyls | |
| 2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazole | benzothiazoles | ||
| N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinamine | benzofurans | ||
| N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | methoxybenzenes | ||
| 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione | benzothiazoles | ||
| (4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone | aromatic ketone | ||
| 2-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzonitrile | benzimidazoles | ||
| 2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone | N-arylpiperazine | ||
| [4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone | N-arylpiperazine | ||
| 8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-imine | quinolines | ||
| LSM-28273 | pyrazoles; ring assembly | ||
| 2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide | quinazolines | ||
| N-[6-[[cyclohexyl(oxo)methyl]amino]-3-pyridinyl]-2-pyridinecarboxamide | pyridinecarboxamide | ||
| 7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile | piperazines; pyridines | ||
| 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamide | aromatic amide; furans | ||
| N-(2,3-dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamide | indanes | ||
| 4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimine | organochlorine compound | ||
| 4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide | benzamides | ||
| 3-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-(phenylmethyl)-2-pyridinone | aryl sulfide | ||
| 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 2-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]isoindole-1,3-dione | phthalimides | ||
| 4-[(4-chloro-1-naphthalenyl)oxy]-5-methoxy-2-(2-pyridinyl)pyrimidine | organonitrogen heterocyclic compound | ||
| Src Inhibitor-1 | Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. | aromatic ether; polyether; quinazolines; secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| 4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine | dichlorobenzene | ||
| 1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid: has been shown to exhibit unprecedented positive allosteric activity for ACh binding as well as inherent agonist activity at the M1 muscarinic receptor; structure in first source | ||
| 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine | pyrazoles; ring assembly | ||
| 4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid | sulfanylbenzoic acid | ||
| 5-[3-[(2,4-dichlorophenyl)methoxy]-2-thiophenyl]-1,2-dihydro-1,2,4-triazole-3-thione | dichlorobenzene | ||
| 4-[2-[(2,4-dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]morpholine | dichlorobenzene | ||
| 5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazole | aryl sulfide | ||
| (4-chlorophenyl)-[5-(4-morpholinyl)-4-(2-pyridinyl)-2-thiophenyl]methanone | aromatic ketone | ||
| N,N-dimethylcarbamic acid [4-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]-2,6-dimethylphenyl] ester | aromatic ketone | ||
| 2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile | aromatic ether | ||
| (4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanone | benzamides; N-acylpiperidine | ||
| N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester | carboxylic ester | ||
| 2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazolinimine | quinazolines | ||
| 6-fluoro-2-phenyl-1,2-benzothiazol-3-one | benzothiazoles | ||
| 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 4,6-bis(1-imidazolyl)-N,N-diphenyl-1,3,5-triazin-2-amine | substituted aniline | ||
| 4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholine | pyrroles | ||
| 4-(1-benzimidazolyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone | aromatic ketone | ||
| cinnarizine | Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS. | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
| 2-amino-6-ethyl-3-(3-isoxazolyl)-7-methoxy-1-benzopyran-4-one | chromones | ||
| sulindac | sulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects. | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
| cis-resveratrol | cis-resveratrol : The cis-stereoisomer of resveratrol. | resveratrol | |
| zucapsaicin | methoxybenzenes; phenols | ||
| capsaicin | ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers. | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
| enclomiphene | Enclomiphene: The trans or (E)-isomer of clomiphene. | ||
| zuclomiphene | Zuclomiphene: The cis or (Z)-isomer of clomiphene. | stilbenoid | |
| fluoxetine | (S)-fluoxetine : An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]. | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | antidepressant; serotonin uptake inhibitor |
| terbinafine | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor | |
| geranyl acetate | geranyl acetate : A monoterpenoid that is the acetate ester derivative of geraniol. geranyl acetate: constituted about 90% of the palmarosa oil | acetate ester; monoterpenoid | plant metabolite |
| epalrestat | epalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. | monocarboxylic acid; thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| n-(fluorenyl-9-methoxycarbonyl)leucine | N-(fluorenyl-9-methoxycarbonyl)leucine: a leumedin; RN given for (L)-isomer | ||
| 1-phenyl-2-nitropropene | 1-phenyl-2-nitropropene: RN given refers to cpd without isomeric designation | ||
| cyqualon | |||
| aurapten | aurapten: RN refers to (E)-isomer; structure given in first source auraptene : A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. | coumarins; monoterpenoid | antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary |
| 3-((3-trifluoromethyl)phenyl)-5-((3-carboxyphenyl)methylene)-2-thioxo-4-thiazolidinone | 3-((3-trifluoromethyl)phenyl)-5-((3-carboxyphenyl)methylene)-2-thioxo-4-thiazolidinone: a cystic fibrosis transmembrane conductance regulator inhibitor; structure in first source | ||
| SMER 28 | SMER 28 : A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy. | organobromine compound; quinazolines; secondary amino compound | autophagy inducer |
| 4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester | pyrimidinecarboxylic acid | ||
| 4-[[(3,6-dichloro-2-methoxyphenyl)-oxomethyl]amino]benzoic acid propyl ester | benzamides | ||
| 1-[[1-oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthiourea | aryl sulfide | ||
| 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetic acid butyl ester | coumarins | ||
| 1-(1h-indol-3-ylcarbonyl)-n-(4-methoxybenzyl)formamide | 1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide: structure in first source | ||
| 2-chloro-N-heptyl-N-(3-methylphenyl)acetamide | anilide | ||
| methoprene | methoprene | ||
| 2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione | 1,4-naphthoquinones | ||
| 6-[4,6-bis(4-methoxyphenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one | phenylpyridine | ||
| 4-methyl-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide | benzoic acids | ||
| N-[(benzenesulfonylhydrazo)-sulfanylidenemethyl]-4-methylbenzamide | sulfonamide | ||
| 5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester | aromatic amide; thiophenes | ||
| N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | methoxybenzenes | ||
| 4-butyl-3-(5-ethyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid | N-acyl-L-amino acid | ||
| N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide | benzoic acids | ||
| 2-methyl-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide | benzoic acids | ||
| chlorogenic acid | caffeoylquinic acid: Antiviral Agent; structure in first source chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | cinnamate ester; tannin | food component; plant metabolite |
| nipecotic acid | (R)-nipecotic acid : The (R)-enantiopmer of nipecotic acid. | amino acid zwitterion; nipecotic acid | |
| 2-chloro-4,6-diphenylpyrimidine | pyrimidines | ||
| 1-[2-(2-methylphenoxy)ethyl]-3-phenylthiourea | thioureas | ||
| 2-butoxy-3-phenyl-4-quinazolinone | quinazolines | ||
| N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine | aromatic ether | ||
| 4-[4-(3-chlorophenyl)-1-piperazinyl]aniline | piperazines | ||
| 4-(1-benzotriazolyl)-3,5-dinitrobenzonitrile | triazoles | ||
| 3-(3-hydroxypropylamino)-7-methyl-1-(pentylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile | naphthyridine derivative | ||
| 4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione | pyrazoles; ring assembly | ||
| 5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine | pyrazoles; ring assembly | ||
| 5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester | benzofurans | ||
| 3-phenyl-2-propan-2-yl[1]benzopyrano[2,3-d]pyrimidine-4,5-dione | chromones | ||
| 1-[2-[(3-chloro-4-methoxyphenyl)methylthio]ethyl]-3-phenylthiourea | thioureas | ||
| CAY10591 | CAY10591: a SIRT1 NAD-dependent histone deacetylase activator | quinoxaline derivative | |
| tg 003 | TG 003: a Clk inhibitor; structure in first source | ||
| xl147 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile | aromatic ketone | ||
| 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione | indoles | ||
| 3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7-furo[3,2-g][1]benzopyranone | diarylheptanoid | ||
| 6-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one | coumarins | ||
| N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline | aromatic ether | ||
| N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide | naphthalenes; sulfonic acid derivative | ||
| 4-(2,4-dichlorophenoxy)-N-(3-pyridinyl)butanamide | dichlorobenzene | ||
| N-(4-fluorophenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide | diarylmethane | ||
| N,N-bis(2-methoxyethyl)-2-thieno[3,2-b][1]benzothiolecarboxamide | 1-benzothiophenes | ||
| 5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole | aromatic ether | ||
| N-(4,5-diphenyl-2-oxazolyl)-3-methoxybenzamide | 1,3-oxazoles | ||
| 3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide | aromatic amide | ||
| 4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole | aromatic ether | ||
| 2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione | quinolines | ||
| 6-(2-chloro-1-oxoethyl)-3H-1,3-benzoxazol-2-one | benzoxazole | ||
| 2,4-dibromo-6-[(3-quinolinylamino)methyl]phenol | aminoquinoline | ||
| N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide | N-arylpiperazine | ||
| 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-methoxyphenyl)thiourea | thioureas | ||
| 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thiourea | thioureas | ||
| N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine | pyrimido-indole | ||
| 1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester | indolecarboxamide | ||
| 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzotriazoles; triazolothiadiazole | ||
| 2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one | aryl sulfide | ||
| (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine | benzothiazoles | ||
| N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide | sulfonamide | ||
| 3-acetyl-7-methoxycoumarin | 3-acetyl-7-methoxycoumarin: structure in first source | coumarins | |
| cuspin-1 | cuspin-1: cuspin-1 - Chemical Upregulator of SMN Protein-1; structure in first source | ||
| 5,6-dimethyl-N-(thiophen-2-ylmethyl)-4-thieno[2,3-d]pyrimidinamine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | stilbenoid | ||
| 4-(dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester | benzoate ester | ||
| N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide | pyrazoles; ring assembly | ||
| N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide | acetamides; anilide | ||
| 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester | benzothiazoles | ||
| N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide | quinolines | ||
| 3-hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester | naphthoic acid | ||
| 4-(2,4-dichlorophenoxy)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester | dichlorobenzene | ||
| 4-[4-(phenylmethyl)-1-piperidinyl]thieno[2,3-d]pyrimidine | piperidines; thienopyrimidine | ||
| 2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone | aromatic ketone | ||
| 2,5-difluoro-N-[2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]benzenesulfonamide | sulfonamide | ||
| 2-[(6-chloro-1-benzotriazolyl)oxy]-N-(4-fluorophenyl)acetamide | benzotriazoles | ||
| 2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester | aromatic carboxylic acid; pyridines | ||
| 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-amine | aryl sulfide | ||
| N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-3-pyrazolecarboxamide | pyrazoles; ring assembly | ||
| 5-bromo-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3-pyridinecarboxamide | aromatic amide | ||
| 2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide | pyrazoles; ring assembly | ||
| 2-methyl-3-[oxo(thiophen-2-yl)methyl]-1-indolizinecarboxaldehyde | indolizines | ||
| 4,5-dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester | methoxybenzoic acid | ||
| N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-amine | dicarboximide; heterocyclic compound | ||
| 2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester | monocarboxylic acid | ||
| 3-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one | benzotriazines | ||
| 6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-one | benzoxazine | ||
| 2,6-dichloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide | sulfonamide | ||
| N-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamide | quinolines | ||
| 4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide | quinazolines | ||
| N-[(4-methoxyphenyl)methyl]-2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxamide | naphthofuran | ||
| N-(4-acetylphenyl)-5-[(phenylthio)methyl]-2-furancarboxamide | aromatic amide; furans | ||
| N-(4-methoxyphenyl)-5-(phenoxymethyl)-2-furancarboxamide | aromatic amide; furans | ||
| 3-cyclohexyl-N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)propanamide | aromatic amide | ||
| 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | morpholines; pyrimidone; secondary carboxamide; tertiary amino compound | ||
| 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one | benzofurans | ||
| (4-tert-butylphenyl)-[2-(4-fluorophenyl)-8-methyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanone | azaspiro compound | ||
| 2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide | sulfonamide | ||
| 4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide | sulfonamide | ||
| 4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide | sulfonamide | ||
| 3-[[2-furanyl(oxo)methyl]amino]-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| 3-[(3,3-dimethyl-1-oxobutyl)amino]-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea | indoles | ||
| 4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone | aromatic ether | ||
| 2-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl ester | benzamides | ||
| 2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester | aromatic carboxylic acid; thiazoles | ||
| 1-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-propylthiourea | quinoxaline derivative | ||
| thiocyanic acid [2-(1-naphthalenyl)-2-oxoethyl] ester | naphthalenes | ||
| mcb-613 | cyclic ketone; enone; pyridines | antineoplastic agent; steroid receptor coactivator stimulator | |
| 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone | quinolines | ||
| 5-bromo-N-(2-phenylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| 2-[2-(1-naphthalenyloxy)ethylthio]pyrimidine | naphthalenes | ||
| 1-(4-butylphenyl)-3-(4-morpholinyl)thiourea | morpholines | ||
| 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]acetic acid ethyl ester | aryl sulfide | ||
| 1-[3-(4-phenylphenoxy)propyl]-1,2,4-triazole | biphenyls | ||
| N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide | aromatic amide; furans | ||
| 2,5-dimethoxybenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester | phthalimides | ||
| 2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamide | alkylbenzene | ||
| 1-(4-bromo-2-chlorophenyl)-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea | pyridinecarboxamide | ||
| 1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone | triazoles | ||
| 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione | triazoles | ||
| 4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide | sulfonamide | ||
| N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine | aromatic ether | ||
| 2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester | ring assembly; thiophenes | ||
| N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | alkylbenzene | ||
| N-(4-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide | xanthenes | ||
| N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 1-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea | ureas | ||
| 3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone | aralkylamine | ||
| 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)benzamide | benzamides | ||
| 4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester | piperazinecarboxylic acid | ||
| 8-quinolinecarboxylic acid phenyl ester | quinolines | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamide | dibenzofurans | ||
| 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide | benzamides | ||
| 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde | aromatic ether | ||
| 3-(2-bromophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | triazolothiadiazole | ||
| N-(4-chlorophenyl)-4-methyl-2-thiazolamine | substituted aniline | ||
| 2-(5-bromo-2-furanyl)-6-methyl-3,1-benzoxazin-4-one | benzoxazine | ||
| 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester | aromatic ether; C-nitro compound | ||
| N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-furancarboxamide | naphthols | ||
| N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide | sulfonamide | ||
| N-(3-acetylphenyl)-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide | aromatic amide | ||
| N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,2-dimethylpropanamide | carbonyl compound; organohalogen compound | ||
| 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone | quinolines | ||
| 4-methyl-N-(2-phenylphenyl)-3-(phenylsulfamoyl)benzamide | benzamides | ||
| 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone | benzodioxine | ||
| 2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester | coumarins | ||
| 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester | coumarins | ||
| 2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol | 2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol: apoptosis-inducing agent that down-regulates Bcl-XL in cancer cells; structure in first source | dichlorobenzene | |
| 4-chloro-N-[(2-methylpropylamino)-sulfanylidenemethyl]benzamide | carbonyl compound; organohalogen compound | ||
| 2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid | benzamides | ||
| 2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 2-(2,4-dichloro-6-methylphenoxy)-N-(2-furanylmethyl)acetamide | dichlorobenzene | ||
| 3,4-dimethyl-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]benzamide | thioureas | ||
| 2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide | acetamides | ||
| 3,4-dimethoxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide | benzamides | ||
| 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-4-methylbenzene | methoxybenzenes | ||
| 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline | quinolines | ||
| 1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | aromatic ether; C-nitro compound | ||
| N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamide | fatty amide | ||
| 5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine | pyrazolopyrimidine | ||
| 1-[(7-chloro-4-quinolinyl)amino]-3-(2,4-dichlorophenyl)thiourea | organochlorine compound; quinolines | ||
| N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-phenyl-4-quinolinecarboxamide | quinolines | ||
| 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester | benzamides | ||
| N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamide | morpholines | ||
| 2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolamine | aryl sulfide | ||
| 7-methyl-3-(phenylhydrazo)-1,5-benzodiazepin-2-one | phenylhydrazines | ||
| 3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide | pyrazoles; ring assembly | ||
| [[2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester | aromatic amide | ||
| 3-methyl-N,1-diphenyl-4-pyrazolecarbothioamide | pyrazoles; ring assembly | ||
| 2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one | sulfonamide | ||
| 1-(2-chlorophenyl)-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]thiourea | benzimidazoles | ||
| 1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide | pyrazoles; ring assembly | ||
| 3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | pyrroles | ||
| N2-(4-methylphenyl)benzene-1,2-diamine | aminotoluene | ||
| 2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamide | dibenzofurans | ||
| 1-[4-(difluoromethylthio)phenyl]-3-(phenylmethyl)thiourea | thioureas | ||
| 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester | morpholines | ||
| 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one | 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source | ||
| N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamide | naphthalenes | ||
| 2-[4-(4-chlorophenyl)-2-thiazolyl]ethanethioamide | thiazoles | ||
| 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester | aromatic ether | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide | pyrazoles; ring assembly | ||
| 4-(dimethylamino)benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester | aromatic ketone | ||
| 2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamide | benzamides | ||
| 2-[2-(4-fluoroanilino)-4-thiophen-2-yl-5-thiazolyl]acetic acid | thiazoles | ||
| 2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole | thiazoles | ||
| 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone | aromatic ketone | ||
| 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide | N-acylurea | ||
| 2-(2-phenylanilino)-N-(phenylmethyl)acetamide | biphenyls | ||
| 6-methyl-12-indolo[1,2-c]quinazolinamine | organic heterotetracyclic compound; organonitrogen heterocyclic compound | ||
| 4-hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester | 4-hydroxybenzoate ester | ||
| 2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide | aromatic amine; tertiary amino compound | ||
| N-(2-phenylethyl)-1,3-benzothiazol-2-amine | benzothiazoles | ||
| thiocyanic acid [4-[(2-chloro-1-oxoethyl)amino]-3,5-dimethylphenyl] ester | anilide | ||
| 2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester | benzoate ester; phenols | ||
| 2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamide | organochlorine compound | ||
| N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | pyrazolopyrimidine | ||
| 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide | aromatic amide | ||
| 3-[(4-chlorophenyl)thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-propanone | piperazines | ||
| N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine | pyrazoles; ring assembly | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-phenylthieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethyl-4-(1-pyrrolidinyl)benzenesulfonamide | piperazines | ||
| N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide | quinolines | ||
| 1-(2-chlorophenyl)-3-(3-phenylpropyl)thiourea | thioureas | ||
| 4,6,8-trimethyl-1H-quinoline-2-thione | quinolines | ||
| N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamide | pyrazines; secondary carboxamide | ||
| 2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]acetamide | aryl sulfide | ||
| N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide | benzodioxoles | ||
| N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamide | aromatic amide; thiophenes | ||
| N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine | pyrazoles; ring assembly | ||
| 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone | piperazines | ||
| 2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one | pyrazoles; ring assembly | ||
| 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1-piperidinyl)thieno[2,3-d]pyrimidine | dimethoxybenzene; thienopyrimidine | ||
| 2-chloro-N-[(5-chloro-2-thiophenyl)methyl]-N-methylacetamide | thiophenes | ||
| 5-methyl-2-(2-phenylethylamino)-4-thiazolecarboxylic acid ethyl ester | aromatic carboxylic acid; thiazoles | ||
| [2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone | N-arylpiperazine | ||
| N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide | quinazolines | ||
| 2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide | quinazolines | ||
| N-(3,4-dimethoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine | dimethoxybenzene; thienopyrimidine | ||
| N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide | benzimidazoles | ||
| 2-(4-chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole | aryl sulfide | ||
| 4-(3,4-dimethoxyphenyl)-2-thiophen-2-ylthiazole | dimethoxybenzene | ||
| 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxaldehyde | pyrazoles; ring assembly | ||
| N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide | aromatic amide | ||
| 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline | quinoxaline derivative | ||
| 2,4-dithiophen-2-ylthiazole | thiazoles | ||
| N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine | tetrazoles | ||
| N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide | triazoles | ||
| N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide | N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by phenyl and (3-acetamidophenyl)nitrilo groups, respectively. | acetamide; aromatic amine; quinazolines; secondary amino compound; substituted aniline | |
| 1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester | benzothiazoles | ||
| 5-(3-fluorophenoxy)-8-nitroisoquinoline | aromatic ether | ||
| N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)-oxomethyl]phenoxy]acetamide | benzophenones | ||
| 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester | benzamides | ||
| 4-(4-methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine | organonitrogen heterocyclic compound; thienopyrimidine | ||
| N-(5-methyl-2-thiazolyl)cyclopentanecarboxamide | aromatic amide | ||
| 3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester | indolyl carboxylic acid | ||
| [4-(3-chlorophenyl)-1-piperazinyl]-(2,5-dimethyl-3-furanyl)methanone | piperazines | ||
| 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone | indoles | ||
| N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]acetamide | benzodioxine | ||
| 1-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | triazolobenzothiazole | ||
| 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone | benzoxazole | ||
| 7-[(4-acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinone | aromatic ketone | ||
| 5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester | carboxylic ester | ||
| 2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide | aromatic ether | ||
| 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-3-dibenzofuranyl)acetamide | dibenzofurans | ||
| phenacylamine monohydrochloride | |||
| thioguanine anhydrous | Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
| (1R,2S)-tranylcypromine hydrochloride | (1R,2S)-tranylcypromine hydrochloride : A hydrochloride obtained by combining (1R,2S)-tranylcypromine with one equivalent of hydrochloric acid. | hydrochloride | |
| Pregnenolone acetate | steroid ester | ||
| tacrine hydrochloride | |||
| thiourea | thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS. | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
| safranine t | safranin O : An organic chloride salt having 3,7-diamino-2,8-dimethyl-5-phenylphenazin-5-ium as the counterion. It is commonly used for staining Gram negative bacteria. | organic chloride salt | fluorochrome; histological dye |
| 5-chloro-2-mercaptobenzothiazole | |||
| 4-phenyl-1,2,3,6-tetrahydropyridine hdyrochloride | |||
| brij-58 | Cetomacrogol: Non-ionic surfactant of the polyethylene glycol family. It is used as a solubilizer and emulsifying agent in foods, cosmetics, and pharmaceuticals, often as an ointment base, and also as a research tool. | ||
| benzoylarginine nitroanilide | |||
| digoxin | digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small. Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
| malachite green | |||
| meso-1,2-diphenylethylenediamine, (r-(r*,s*))-isomer | diphenylethylenediamine: structure in first source | ||
| quinacrine monohydrochloride | |||
| 5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile | substituted aniline | ||
| N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide | naphthothiazole | ||
| N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamide | piperidines | ||
| 1-(3-chlorophenyl)biguanide hydrochloride | |||
| 5-(1-naphthalenylamino)-3H-1,3,4-thiadiazole-2-thione | naphthalenes | ||
| mecysteine hydrochloride | alpha-amino acid ester | ||
| 4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer | |||
| capsazepine | capsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist. capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
| 4-bromohomoibotenic acid, (rs)-isomer | |||
| tamoxifen citrate | citrate salt | angiogenesis inhibitor; anticoronaviral agent | |
| tamoxifen | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator | |
| branigen | |||
| tetraoctylammonium bromide | tetraoctylammonium bromide: a phase transfer reagent | ||
| 1-butyl-3-methylimidazolium hexafluorophosphate | 1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source | ||
| 1-methyl-3-octylimidazolium chloride | 1-methyl-3-octylimidazolium chloride: use as an ionic liquid solution 3-methyl-1-octylimidazolium chloride : An organic chloride salt in which the cationic component is 3-methyl-1-octylimidazolium. | organic chloride salt | |
| 1-hexadecyl-3-methylimidazolium chloride | 1-hexadecyl-3-methylimidazolium chloride: structure in first source | ||
| 1-octyl-3-methylimidazolium hexafluorophosphate | 1-octyl-3-methylimidazolium hexafluorophosphate: is a nonaqueous ionic liquid | ||
| 8-azidoadenosine 5'-triphosphate | |||
| Betaine Aldehyde Chloride | quaternary ammonium salt | ||
| Methyl indole-5-carboxylate | indolyl carboxylic acid | ||
| 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid | benzenes | ||
| 2-{1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl}acetic acid | 1-benzothiophenes | ||
| 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | (trifluoromethyl)benzenes | ||
| N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide | ring assembly; thiophenes | ||
| 4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamide | biphenyls | ||
| Ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate | piperazines | ||
| N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide | aromatic amide | ||
| hc-067047 | HC-067047: a TRPA1 antagonist; structure in first source | ||
| N'-[(4-chlorophenyl)-oxomethyl]-2-thiophen-2-yl-4-thiazolecarbohydrazide | carbonyl compound; organohalogen compound | ||
| 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine | 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine : A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively. | aminopyrimidine; isoxazoles | |
| 4-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-2-pyrimidinamine | dichlorobenzene | ||
| N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamide | anilide | ||
| 2-(4-chlorophenyl)guanidine | organochlorine compound | ||
| 3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione | dichlorobenzene | ||
| 3-[5-[anilino(oxo)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester | aromatic amide; furans | ||
| 4-(3-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine | pyrazoles; ring assembly | ||
| 4-(dimethylamino)-3-[(phenylmethoxyamino)methylideneamino]-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester | thienopyridine | ||
| 2-[(2-methylphenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole | aryl sulfide | ||
| 3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole | pyrazoles; ring assembly | ||
| 5-cyano-6-phenoxy-2-phenyl-3-pyridinecarboxylic acid ethyl ester | phenylpyridine | ||
| t 0070907 | T 0070907: a PPARgamma antagonist; structure in first source | carbonyl compound; organohalogen compound | |
| stattic | 1-benzothiophenes; C-nitro compound; sulfone | antineoplastic agent; radiosensitizing agent; STAT3 inhibitor | |
| 6-Chlorobenzo[d]isoxazol-3-ol | benzisoxazole | ||
| 2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine | quinazolines | ||
| 3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dione | maleimides | ||
| cgp 74514a | |||
| gsk 3787 | |||
| 6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine | 6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine: inhibitor of SARS-CoV main protease; structure in first source | sulfonic acid derivative | anticoronaviral agent |
| N-(4-chlorophenethyl)-N'-(4-chlorophenyl)urea | organochlorine compound | ||
| 3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine | pyridines; pyrrolidines | ||
| N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine | aromatic ether | ||
| sc 514 | SC 514: inhibits IkappaB kinase-2; structure in first source | ring assembly; thiophenes | |
| 6-(4-methoxyphenyl)pyrimidine-2,4-diamine | pyrimidines | ||
| ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate | ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate : The ethyl ester of 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid. | ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide | |
| jnj-1661010 | N-arylpiperazine | ||
| 5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide | aromatic amide | ||
| N'-(4-tert-butyl-2-thiazolyl)-4-chlorobenzohydrazide | carbonyl compound; organohalogen compound | ||
| 6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester | ureas | ||
| [4-(2-methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone | piperidines | ||
| N'-(3-chloro-4-methylphenyl)-5-isoxazolecarbohydrazide | phenylhydrazines | ||
| N'-(4-chloro-2-methylphenyl)-4-methyl-5-thiadiazolecarbohydrazide | phenylhydrazines | ||
| N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide | aromatic ether | ||
| 2-[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester | aromatic amide; furans | ||
| 4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester | piperidines | ||
| 3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid | pyrazoles; ring assembly | ||
| (2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone | aromatic ketone | ||
| 3-oxo-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]butanoic acid ethyl ester | pyrimidines | ||
| 1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione | anthraquinone | ||
| 2-(3,4-dimethoxyphenyl)quinoline | 2-(3,4-dimethoxyphenyl)quinoline: enhances ciprofloxacin activity; structure in first source | quinolines | |
| N-(2-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamide | aromatic amide | ||
| 3,3-dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanone | quinazolines | ||
| S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate | acetylenic compound; furans; organofluorine compound; thioester; triazoles | ||
| 1-(3,5-dichlorophenyl)-3-[2-(2-furanylmethylthio)ethyl]urea | ureas | ||
| ale 0540 | ALE 0540: structure in first source | ||
| cancidas | |||
| 2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole | 2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole: an amyloid imaging agent; structure in first source | ||
| 2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol | benzenoid aromatic compound | ||
| sirtinol | aldimine; benzamides; naphthols | anti-inflammatory agent; EC 3.5.1.98 (histone deacetylase) inhibitor; Sir2 inhibitor | |
| methyl-thiohydantoin-tryptophan | methyl-thiohydantoin-tryptophan: structure in first source | organonitrogen compound; organooxygen compound | |
| 2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | monoterpenoid | ||
| N-[[1,3-dioxo-2-(phenylmethyl)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-methoxybenzamide | isoindoles | ||
| N-[(2-chloroanilino)-sulfanylidenemethyl]-2-furancarboxamide | thioureas | ||
| 10074-g5 | 10074-G5: structure in first source | ||
| (4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone | aromatic ketone | ||
| 1-(4-ethoxyphenyl)-3-[methyl-(phenylmethyl)amino]pyrrolidine-2,5-dione | pyrrolidines | ||
| 2-(4-pentylphenyl)acetic acid | benzenes | ||
| 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione | pyrrolidines | ||
| 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine | dialkylarylamine; tertiary amino compound | ||
| 3-benzylbenzothiazolium | 3-benzylbenzothiazolium: RN refers to bromide | ||
| 1-hexadecyl-3-methylimidazolium bromide | 1-hexadecyl-3-methylimidazolium bromide: structure in first source | ||
| 1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dione | pyrrolidines | ||
| 4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxaline | pyrroline | ||
| N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline | morpholines | ||
| N-[2-(4-methoxyphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline | morpholines | ||
| nemadipine-a | nemadipine-A : A dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying. nemadipine-A: structure in first source | dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; pentafluorobenzenes | calcium channel blocker |
| polysulfide rubber | |||
| 1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester | pyrazoles; ring assembly | ||
| 2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol | aromatic compound | ||
| 2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile | pyrrolidines | ||
| 1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol | methoxybenzenes | ||
| 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide | purine nucleoside | ||
| 4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester | amidobenzoic acid | ||
| 1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea | thioureas | ||
| N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| 1-[8-chloro-4-(1-naphthalenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]ethanone | quinolines | ||
| 1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione | pyrrolidines | ||
| LSM-19663 | quinazolines | ||
| N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide | quinazolines | ||
| alanyl-alanyl-alanyl-alanine, (d-ala-l-ala-l-ala-l-ala)-isomer | aromatic amide; furans | ||
| 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione | isoquinolines | ||
| 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one | benzimidazoles | ||
| N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide | monoterpenoid | ||
| N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide | monoterpenoid | ||
| 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone | aromatic ketone | ||
| 1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol | phenothiazines | ||
| [4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone | piperazines | ||
| 2-[[(1-butyl-2-benzimidazolyl)amino]methyl]phenol | benzimidazoles | ||
| N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-2-furancarboxamide | benzodioxine | ||
| N-cyclohexyl-4-(4-nitrophenyl)-1-piperazinecarbothioamide | piperazines | ||
| 2,2'-[3-(2-methoxyphenyl)-1,2-propanediyl]bis(1H-benzimidazole) | 1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzene: a Syk inhibitor with anti-inflammatory activity; structure in first source | benzimidazoles | |
| N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide | C-nitro compound | ||
| N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamide | benzimidazoles | ||
| 6-amino-4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | piperazines; pyranopyrazole | ||
| 2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide | sulfonamide | ||
| 4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one | C-nitro compound | ||
| N-[1-(4-bromophenyl)ethyl]cyclobutanecarboxamide | organobromine compound | ||
| 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile | methoxybenzenes; phenols | ||
| 5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 5-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoic acid | thiophenecarboxylic acid | ||
| 1-azepanyl-[2-(phenylmethyl)-1-benzimidazolyl]methanone | benzimidazoles | ||
| 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(2-pyridinyl)methyl]-1-methyl-2-sulfanylidene-4-pyrimidinone | hydroxypyrimidine | ||
| k 858 | K 858: an Eg5 inhibitor and antineoplastic agent; structure in first source | benzenes | |
| benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester | benzenesulfonate ester | ||
| N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide | sulfonamide | ||
| 2,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide | dimethoxybenzene | ||
| 3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide | 1-benzothiophenes | ||
| 2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl ester | alpha-amino acid ester | ||
| 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid | pyrazoles; ring assembly | ||
| 4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine | pyrazoles; ring assembly | ||
| 1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)thio]-N-cyclohexylacetamide | tetrahydropyridine | ||
| 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid | pyrrolidines | ||
| N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1-piperidinecarbothioamide | thioureas | ||
| N-[4-[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 4-[hydroxy(diphenyl)methyl]-N-(2-phenylethyl)-1-piperidinecarbothioamide | diarylmethane | ||
| 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide | aromatic ether | ||
| 2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid | benzamides | ||
| 3-(4-methoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide | methoxybenzenes | ||
| N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide | organonitrogen compound; organooxygen compound | ||
| N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide | benzamides | ||
| N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide | benzamides | ||
| 1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea | ureas | ||
| 4-[[2-(4-ethyl-3-oxo-2-morpholinyl)-1-oxoethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamide | piperazines | ||
| 4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide | piperazines | ||
| 2-chloro-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| N-(4,5-dihydrothiazol-2-yl)-3,5-dimethyl-1-adamantanecarboxamide | thiazoles | ||
| 2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester | phthalate ester | ||
| 1-[1-(1-adamantyl)butyl]-3-(2-oxolanylmethyl)thiourea | oxolanes | ||
| 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide | diarylmethane | ||
| 5-chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinol | organochlorine compound; quinolines | ||
| 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea | piperazines | ||
| N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide | N-arylpiperazine | ||
| N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamide | aromatic amide; thiophenes | ||
| [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone | benzoic acids | ||
| 1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole | imidazoles | ||
| 4-[[3-[(4-chlorophenyl)sulfonylamino]-2-quinoxalinyl]amino]-1-piperidinecarboxylic acid ethyl ester | quinoxaline derivative | ||
| 1-(4-methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine | piperazines | ||
| 2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamide | indolyl carboxylic acid | ||
| cb 7969312 | organochlorine compound; quinolines | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide | benzodioxine | ||
| 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl ester | pyrimidines | ||
| LSM-18518 | quinolines | ||
| 3-methyl-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]benzamide | quinolines | ||
| 4-[(1-ethyl-6-methyl-4-pyrazolo[3,4-b]pyridinyl)oxymethyl]benzonitrile | pyrazolopyridine | ||
| 1-(2-furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanone | aryl sulfide | ||
| 1-(2-methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole | tetrazoles | ||
| 2-[[2-(4-ethyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide | imidazolidine-2,4-dione | ||
| 7-[[[1-(3-methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone | benzimidazoles | ||
| 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone | pyrroles | ||
| (2,5-dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone | aromatic ketone | ||
| N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamide | benzothiazoles | ||
| 5-[4-(1-imidazolyl)phenoxy]-1-phenyltetrazole | tetrazoles | ||
| 2-ethoxy-3-pyridinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester | imidazopyridine | ||
| N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide | benzothiazoles | ||
| 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dione | phthalimides | ||
| 2-(1,3-diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone | pyrazoles; ring assembly | ||
| N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide | aromatic amide | ||
| N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methoxy-3-benzofuranyl)-N-methylacetamide | benzodioxine | ||
| 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester | pyrazoles; ring assembly | ||
| 2-(4-chloro-2-methylphenoxy)-N-[2-(4-morpholinyl)phenyl]propanamide | morpholines | ||
| zeranol | Zeranol: A non-steroidal estrogen analog. | macrolide | |
| 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | phthalazines | ||
| 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester | quinolines | ||
| 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile | quinazolines | ||
| N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide | sulfonamide | ||
| 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione | pyrroles | ||
| fusidic acid | fusidic acid : A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum. Fusidic Acid: An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed). It acts by inhibiting translocation during protein synthesis. | 11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor |
| hirsutine, (16e,20beta)-isomer | alkaloid | metabolite | |
| lincomycin | lincomycin : A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis. Lincomycin: An antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections. | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
| 2-acetylpyridine-(4-phenylthiosemicarbazone) | 2-acetylpyridine-(4-phenylthiosemicarbazone): structure given in first source | ||
| nsc 336628 | |||
| estrone sulfate | estrone sulfate: sulfoconjugated estrone; RN given refers to parent cpd | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
| aplaviroc | aplaviroc: a spiro-diketo-piperazine; a potent noncompetitive allosteric antagonist of the CCR5 receptor with concomitantly potent antiviral effects for HIV-1; structure in first source | ||
| Ganodermanontriol | triterpenoid | metabolite | |
| fursultiamin | Fursultiamin: Compound used for therapy of thiamine deficiency. It has also been suggested for several non-deficiency disorders but has not yet proven useful. | pyrimidines | |
| hmr 3647 | |||
| maraviroc | tropane alkaloid | ||
| nnd 502 | luliconazole: structure in first source | dichlorobenzene | |
| LSM-1318 | oxa-steroid | ||
| toremifene citrate | stilbenoid | anticoronaviral agent | |
| toremifene | Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| u 0126 | U 0126: protein kinase kinase inhibitor; structure in first source | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
| 2',3'-didehydro-3'-deoxy-4'-ethynylthymidine | 2',3'-didehydro-3'-deoxy-4'-ethynylthymidine: a highly active anti-HIV agent; structure in first source | ||
| vicriviroc | vicriviroc: structure in first source | (trifluoromethyl)benzenes | |
| l 783281 | L 783281: structure in first source | ||
| glycylproline | Gly-Pro : A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group. | dipeptide; dipeptide zwitterion | metabolite |
| zephiran | |||
| norcisapride | norcisapride: metabolite of cisapride | benzamides | |
| 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine | aromatic ether | ||
| 1-(benzenesulfonyl)-2-benzimidazolamine | sulfonamide | ||
| 1-(4-nitrophenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
| 6-methyl-2-(phenylethynyl)pyridine | 2-methyl-6-(phenylethynyl)pyridine : A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw. 6-methyl-2-(phenylethynyl)pyridine: an mGlu5 antagonist | acetylenic compound; methylpyridines | anxiolytic drug; metabotropic glutamate receptor antagonist |
| bms 387032 | N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide: a CDK2 inhibitor with antineoplastic activity; structure in first source N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties. | 1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| p-201-1 | |||
| thiophanate | thiophanate-methyl : A member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. | benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas | antifungal agrochemical |
| thiophanate | thiophanate : A member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. Thiophanate: Nematocide used in livestock; also has fungicidal properties. | benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas | antifungal drug |
| naproxol | naproxol : An aromatic ether in which the substituents on oxygen are 6-[(2S)-1-hydroxypropan-2-yl]-2-naphthyl and methyl. | aromatic ether | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| dapiprazole | N-alkylpiperazine; N-arylpiperazine; pyridines | alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug | |
| altanserin | altanserin: structure given in first source; a radioligand for PET studies of serotonin S2 receptors | quinazolines | |
| raclopride | Raclopride: A substituted benzamide that has antipsychotic properties. It is a dopamine D2 receptor (see RECEPTORS, DOPAMINE D2) antagonist. | salicylamides | |
| dolasetron | indolyl carboxylic acid | ||
| or 1259 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent | |
| zuclomifene citrate | |||
| fenchlorazole-ethyl | fenchlorazole-ethyl: an herbicide safener | dichlorobenzene | |
| monooctanoin | 1-monooctanoylglycerol : A 1-monoglyceride that has octanoyl as the acyl group. monooctanoin: dissolution agent for retained cholesterol bile duct stones; RN in Chemline for octanoic acid, ester with 1,2,3-propanetriol, MF unknown: 11140-04-8; RN for octanoic acid, 2,3-dihydroxypropyl ester (1-monooctanoin): 502-54-5; RN in 9th CI Form Index for (+-)-1-monooctanoin: 19670-49-6 rac-1-monooctanoylglycerol : A rac-1-monoacylglycerol comprising equal amounts of 1-octanoyl-sn-glycerol and 3-octanoyl-sn-glycerol. | 1-monoglyceride; octanoate ester; rac-1-monoacylglycerol | |
| almokalant | almokalant: structure given in first source | ||
| meclonazepam | |||
| orlistat | orlistat : A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. Orlistat: A lactone derivative of LEUCINE that acts as a pancreatic lipase inhibitor to limit the absorption of dietary fat; it is used in the management of obesity. | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| idoxifene | idoxifene: structure given in first source | stilbenoid | |
| loreclezole | loreclezole: RN given for Z-isomer; RN for cpd without isomeric designation not avail 12/90 | ||
| quinine | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic | |
| 7-deacetylgedunin | 7-deacetylgedunin : A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. | cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; antimalarial; metabolite; plant metabolite |
| azoxystrobin | azoxystrobin : An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture. azoxystrobin: a methoxyacrylate analog; a strobilurin fungicide; structure given in first source | aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic |
| mitragynine | monoterpenoid indole alkaloid | ||
| deoxy-4-thiothymidine | 4-thiothymidine: structure in first source | ||
| mdl 72527 | MDL 72527: RN given refers to di-HCl; RN for parent cpd not available 6/85; polyamine oxidase inhibitor | ||
| rtki cpd | RTKI cpd: preferentially inhibits human glioma cells expressing truncated rather than wild-type epidermal growth factor receptors | ||
| 4-hydroxytoremifene | 4-hydroxytoremifene: metabolite of toremifene; RN refers to (Z)-isomer; structure in first source | ||
| omephine | omephine: do not confuse with omifin, synonym to clomiphene dihydrogen citrate; structure in Negwer, 5th ed, #2964 | ||
| 7-chloro-thiokynurenate | 7-chlorothiokynurenic acid: glycine site antagonist of NMDA receptor | ||
| e 7010 | E 7010: inhibits tubulin polymerization; structure given in first source | sulfonamide | |
| triptorelin | iodophenpropit: structure given in first source | organoiodine compound | |
| sr 11217 | SR 11217: structure given in first source | ||
| glyceryl nonivamide | N-(4-O-glycerol-3-methoxybenzyl)nonivamide: structure given in first source | ||
| sf 2370 | K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source | bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound | antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist |
| 2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | 2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source | ||
| phorbol 12-phenylacetate 13-acetate 20-homovanillate | phorbol 12-phenylacetate 13-acetate 20-homovanillate: behavior contrasts with resiniferatoxin and capsaicin in the lack of cooperativity in binding vanilloid (capsaicin) receptor | ||
| u-50488 | 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer: A non-peptide, kappa-opioid receptor agonist which has also been found to stimulate the release of adrenocorticotropin (ADRENOCORTICOTROPIC HORMONE) via the release of hypothalamic arginine vasopressin (ARGININE VASOPRESSIN) and CORTICOTROPIN-RELEASING HORMONE. (From J Pharmacol Exp Ther 1997;280(1):416-21) U50488 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine | dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine | analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist |
| (R,R)-asenapine | (R,R)-asenapine : A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have R configuration. | 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | |
| sch 23390 | SCH 23390 : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8. SCH 23390: a selective D1-receptor antagonist | benzazepine | |
| 6-thioinosine-5'-triphosphate | organic molecule | ||
| paynantheine | paynantheine: structure in first source | ||
| hirsutine | |||
| lamifiban | lamifiban: a nonpeptide glycoprotein IIb/IIIa antagonist; prevents platelet loss during experimental cardiopulmonary bypass | N-acylglycine | |
| bp 897 | BP 897: a dopamine D3 receptor agonist; structure in first source | naphthalenecarboxamide | |
| piribedil | |||
| tandutinib | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| vx-745 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | |
| adenosine-5'-(N-propyl)carboxamide | adenosine-5'-(N-propyl)carboxamide : A monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid. | adenosines; monocarboxylic acid amide | |
| ym348 | YM348: 5-HT2C receptor agonist & an antiobesity drug | ||
| ro 60-0175 | (2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine : A 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt. | 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine | 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist |
| isothaz | isothaz: muscimol antagonist | ||
| 5-hydroxydiclofenac | 5-hydroxydiclofenac : A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac. 5-hydroxydiclofenac: structure in first source | dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound | allergen; drug metabolite |
| prucalopride | prucalopride: a 5-HT4 agonist enterokinetic compound | benzamides | |
| azilect | |||
| rasagiline | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent | |
| rivoglitazone | rivoglitazone: structure in first source | ||
| hcl of 3,4-methylenedioxyethamphetamine | |||
| safingol | safingol: RN given refers to the (R-(R*,S*))-isomer | amino alcohol | |
| trequinsin hydrochloride | |||
| dasatinib | dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
| ha 1100 | HA 1100: intracellular calcium antagonist | ||
| emetine dihydrochloride | emetine dihydrochloride : The dihydrochloride salt of emetine. emetine dihydrochloride hydrate : A hydrate that is the monohydrate of the dihydrochloride salt of emetine. | hydrochloride | anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor |
| 7-epi-hydroxystaurosporine | |||
| erysolin | |||
| bigelovin | bigelovin : A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. bigelovin: a potent cytotoxic sesquiterpene lactone from Inula sp.; structure given in first source; RN refers to (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9abeta))-isomer | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite |
| 2-keto-3-deoxy-6-phosphogluconate | 2-dehydro-3-deoxy-6-phospho-D-gluconic acid : The 5-phospho derivative of 2-dehydro-D-gluconic acid. 2-keto-3-deoxy-6-phosphogluconate: structure given in first source; an intermediate in glucose metabolism | ketoaldonic acid phosphate | Escherichia coli metabolite |
| 2-octyl-gamma-bromoacetoacetate | 2-octyl-gamma-bromoacetoacetate: RN given refers to (D)-isomer; structure | ||
| 2-(2-benzofuranyl)-2-imidazoline | 2-(2-benzofuranyl)-2-imidazoline: structure given in first source | benzofurans | |
| arginyl-glycyl-aspartyl-phenylalanine | |||
| acetyl-arginyl-glycyl-aspartyl-serinamide | |||
| sr 144528 | SR 144528 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-(4-chloro-3-methylphenyl)-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylic acid with the amino group of (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine. A potent and selective cannabinoid receptor type 2 (CB2 receptor) inverse agonist (Ki = 0.6 nM). SR 144528: a CB2 cannabinoid receptor antagonist; structure in first source | bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide | CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor |
| zd 6474 | CH 331: structure in first source | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
| desmethylanethol trithione | desmethylanethol trithione: metabolite of anethol trithione; structure given in first source | ||
| pm 1000 | PM 1000: structure given in first source; RN given refers to (R)-isomer; entantiomers demonstrate opposite pharmacological effects at the same receptor | ||
| benzyltetrahydropalmatine | |||
| lenabasum | lenabasum: a CB2 cannabinoid receptor agonist; structure in first source | ||
| arformoterol | arformoterol : An N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide in which both of the stereocentres have R configuration. The active enantiomer of formoterol, it is administered by inhalation (generally as the tartrate salt) as a direct-acting sympathomimetic and bronchodilator for the treatment of chronic obstructive pulmonary disease (any progressive respiratory disease that makes it harder to breathe over time, such as chronic bronchitis and emphysema). | N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent |
| sideroxylin | sideroxylin : A monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4' and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species. sideroxylin: from Hydrastis canadensis; structure in first source | dihydroxyflavone; monomethoxyflavone | plant metabolite |
| mefexamide | |||
| bakuchicin | bakuchicin: a hepatoprotective compound of Psoralea corylifolia (Leguminosae); structure in first source | ||
| wogonoside | wogonin 7-O-beta-D-glucuronide : The glycosyloxyflavone which is the 7-O-glucuronide of wogonin. wogonoside: from Scutellaria baicalensis; structure in first source | beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative | |
| aldisine | |||
| ru 42173 | RU 42173: structure given in first source | benzazepine | |
| 2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | 2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine: A2 adenosine receptor agonist; structure given in first source CGS-21680 : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. | adenosines; dicarboxylic acid monoamide; monocarboxylic acid | adenosine A2A receptor agonist; anti-inflammatory agent |
| N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide | organonitrogen compound; organooxygen compound | ||
| (3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone | carbonyl compound; organohalogen compound | ||
| 3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole | pyrazoles; ring assembly | ||
| 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acid | phenylpyridine | ||
| phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone | aromatic ketone | ||
| 5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine | C-nitro compound | ||
| 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine | naphthalenes | ||
| 2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile | indoles | ||
| N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline | triazoles | ||
| 5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]one | organonitrogen compound; organooxygen compound | ||
| 3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide | C-nitro compound | ||
| 2-oxo-4-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile | tetrahydropyridine | ||
| N-(2,5-dimethoxyphenyl)-4-(2,4-dimethyl-5-thiazolyl)-2-thiazolamine | dimethoxybenzene | ||
| 2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester | coumarins | ||
| 7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | methoxybenzenes | ||
| n-(indol-3-ylglyoxylyl)benzylamine | N-(indol-3-ylglyoxylyl)benzylamine: structure given in first source | ||
| 3-methyl-1-(3-propan-2-yloxypropylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile | pyridobenzimidazole | ||
| 2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide | benzamides | ||
| N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide | ||
| 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide | benzoxazole | ||
| 1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| [4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
| N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide | aromatic amide; furans | anticoronaviral agent | |
| 2-[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide | monoterpenoid | ||
| 2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide | phenothiazines | ||
| 2-[4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazinyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone | piperazines | ||
| N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide | indoles | ||
| 1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine | aromatic amine | ||
| 7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine | pyrazoles; ring assembly | ||
| ml106 | ML106: imidazobenzimidazole, inhibits melanin synthesis; structure in first source | quinazolines | |
| 6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | quinazolines | ||
| N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine | quinazolines | ||
| 6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| nih-12848 | NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source | ||
| N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine | benzodioxoles | ||
| 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester | methoxybenzenes | ||
| 4-[butan-2-yl-[(3,4-dichloroanilino)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | ureas | ||
| 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester | quinolines | ||
| 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester | benzothiazoles | ||
| (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone | naphthalenes | ||
| 5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide | indoles | ||
| 2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-furanylmethyl)acetamide | 1,3-oxazoles | ||
| 2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide | N-acyl-amino acid | ||
| 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile | quinolines | ||
| N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamide | quinolines | ||
| N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione | piperazines | ||
| N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 1-(2-methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazole | benzimidazoles | ||
| 4-hydroxy-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester | peptide | ||
| 1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide | 1-benzopyran | ||
| 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide | 1,3-oxazoles | ||
| 2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone | aromatic amine; tertiary amino compound | ||
| 3-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester | aromatic amide | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide | oxadiazole; ring assembly | ||
| 5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide | thiazoles | ||
| 2-(2,4-dimethoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-quinolinecarboxamide | quinolines | ||
| 2-[(5-bromo-2-thiophenyl)sulfonyl-methylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide | organonitrogen compound; organooxygen compound | ||
| N-(2-methoxyethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide | methoxybenzenes | ||
| [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone | benzothiadiazole | ||
| N-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamide | piperazines | ||
| 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid | pyrazoles | ||
| 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide | benzothiadiazole | ||
| 2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one | quinazolines | ||
| N-[3-(cyclohexylthio)propyl]-2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide | 1,3-oxazoles | ||
| 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-4-triazolecarboxamide | triazoles | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide | phthalazines | ||
| 4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester | carboxylic acid; piperidines | ||
| N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamide | piperazines; pyridines | ||
| 5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide | quinolines | ||
| 3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide | organonitrogen compound; organooxygen compound | ||
| N-[2-(2-methyl-1-indolyl)ethyl]benzamide | indoles | ||
| [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | ||
| 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanone | quinolines | ||
| 3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-(2-thiazolyl)propanamide | methoxybenzenes | ||
| 1-[(5-bromo-2-thiophenyl)sulfonyl]-3-methylpiperidine | thiophenes | ||
| acetic acid [3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester | benzoxazine | ||
| N-(4-ethoxyphenyl)-2-(hydroxymethyl)benzamide | benzamides | ||
| 3-(2,5-dioxo-1-pyrrolidinyl)-N-(5-methyl-3-isoxazolyl)benzamide | amidobenzoic acid | ||
| [1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone | benzimidazoles | ||
| 2-furancarboxylic acid [4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester | 2-furoate ester; pyranopyrazole | ||
| 2-(3-phenyl-1-indazolyl)acetic acid methyl ester | alpha-amino acid ester | ||
| [4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone | piperazines; pyridines | ||
| 2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(1-ethyl-2-oxo-4-quinolinyl)oxy]acetamide | piperazines | ||
| N4,N5-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide | aromatic amide | ||
| N-[2-(1-cyclohexenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindole-5-sulfonamide | indoles | ||
| 2-(7-methyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)acetic acid methyl ester | alpha-amino acid ester | ||
| 5-(4-chlorophenyl)-N-(2-furanylmethyl)-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
| N,3-diphenyl-1-pyrrolidinecarboxamide | pyrrolidines | ||
| N-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | aromatic amide; heteroarene | ||
| 3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide | pyrrolidines | ||
| 5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one | imidazoles | ||
| N-butan-2-yl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide | aromatic amide; quinolines | ||
| 1-methyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[oxo(1-piperidinyl)methyl]-4-quinolinone | aromatic amide; quinolines | ||
| N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine | pyrimidines | ||
| 2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | quinazolines | ||
| N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide | indoles | ||
| N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | aromatic amide; heteroarene | ||
| N-[3-(cyclohexylthio)propyl]-1-[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamide | N-acylpiperidine | ||
| cyclobutyl-[5-[(2-ethyl-1-piperidinyl)sulfonyl]-2,3-dihydroindol-1-yl]methanone | indoles | ||
| N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamide | amidobenzoic acid | ||
| 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one | quinazolines | ||
| 8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one | quinolines | ||
| benzatropine methanesulfonate | benzatropine mesylate : The methanesulfonate salt of benzatropine. An acetylcholine receptor antagonist, it is used in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. | ||
| cambinol | cambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source | ||
| 2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide | naphthalenes | ||
| 3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | aromatic ketone | ||
| N-[(4-chlorophenyl)methyl]-4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinamine | aralkylamine | ||
| benzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester | benzoate ester; pyranopyrazole | ||
| 2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline | 2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline: structure given in first source; neuroprotectant for cerebral ischemia; AMPA receptor antagonist | naphthalenes; sulfonic acid derivative | |
| n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea : A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor. N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a 5-HT(2B) receptor antagonist; structure given in first source | 1,2-thiazoles; indoles; ureas | receptor modulator; serotonergic antagonist |
| 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester | C-nitro compound; thiophenes | ||
| 1-pyrenebutylamine | 1-pyrenebutylamine: structure in first source | ||
| 5-hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester | naphthofuran | ||
| 3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone | aryl sulfide | ||
| 4-(1-azepanyl)-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine | C-nitro compound | ||
| 5-tert-butyl-3-(phenylmethyl)-1,3,5-thiadiazinane-2-thione | thiadiazinane | ||
| 2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
| sw033291 | SW033291: inhibits 15-hydroxyprostaglandin dehydrogenase (15-PGDH) | ||
| rs-130830 | RS-130830: orally-active broad-spectrum matrix metalloproteinase inhibitor | ||
| 2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide | tetralins | ||
| sb-224289 | SB 224289 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo. | 1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound | serotonergic antagonist |
| 1,8-dinitro-4,5-dihydroxyanthraquinone | 1,8-dinitro-4,5-dihydroxyanthraquinone: structure in first source | ||
| gtp 14564 | pyrazoles; ring assembly | ||
| quinoxyfen | quinoxyfen : A member of the class of quinolines carrying two chloro substituents at positions 5 and 7 together with a 4-fluorophenoxy substituent at position 4. A fungicide used mainly to control powdery mildew in cereals. quinoxyfen: structure in first source | aromatic ether; monofluorobenzenes; organochlorine compound; quinolines | antifungal agrochemical |
| N4-(3-chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine | C-nitro compound | ||
| gw 7647 | GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. GW 7647: a PPAR-alpha agonist; structure in first source | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist |
| 4-amino-2-nitrophenol | 2-nitrophenols | ||
| sodium dodecyl sulfate | sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry. | organic sodium salt | detergent; protein denaturant |
| N-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)-4-thiazolecarboxamide | aromatic amide; thiazoles | ||
| fh535 | FH535: inhibits Wnt signaling | sulfonamide | |
| sto 609 | STO 609: structure in first source | naphthoic acid | |
| blister | blebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II. blebbistatin: structure in first source | cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone | inhibitor |
| 1-(3,4-dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]urea | ureas | ||
| N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester | organonitrogen compound; organosulfur compound | ||
| ro 41-0960 | |||
| 4-[[7-methyl-4-(phenylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine | aryl sulfide | ||
| 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide | quinolines | ||
| 3-(3-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]-1-(3-pyridinylmethyl)thiourea | thioureas | ||
| 5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol | organochlorine compound; quinolines | ||
| (S)-4',5,7-Trihydroxy-6-prenylflavanone | flavanones | ||
| 3-hydroxyflavanone | 3-hydroxyflavanone: structure in first source 3'-hydroxyflavanone : A monohydroxyflavanone in which the hydroxy group is located at position 3'. | 3'-hydroxyflavanones; monohydroxyflavanone | metabolite |
| 3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile | piperazines; pyridines | ||
| [1-[2-(2-methylphenoxy)ethyl]-3-indolyl]-(4-methyl-1-piperazinyl)methanethione | indoles | ||
| 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione | pyrrolidines | ||
| 1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea | sulfonamide | ||
| N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine | methoxybenzenes; substituted aniline | ||
| rs 100329 | RS 100329: an alpha(1A)-adrenoceptor antagonist; structure in first source | piperazines | |
| 8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione | quinazolines | ||
| Angolensin | ketone | ||
| 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile | diazepine | ||
| 4-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide | carbonyl compound; organohalogen compound | ||
| rn 1734 | RN 1734: a TRPV4 antagonist; structure in first source | ||
| 1-(2-chlorobenzyl)-2-(1-(4-isobutylphenyl)ethyl)-1h-benzimidazole | 1-(2-chlorobenzyl)-2-(1-(4-isobutylphenyl)ethyl)-1H-benzimidazole: targets 5-lipoxygenase-activating protein to inhibit leukotriene biosynthesis; structure in first source | ||
| 2-amino-4-nitrophenol | 4-nitrophenols | ||
| N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide | anilide | ||
| 2-phenylbutanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester | anilide | ||
| 7-(5-bromo-2-fluorophenyl)-5-(4-bromophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine | triazolopyrimidines | ||
| N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide | C-nitro compound; thiophenes | ||
| n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide | N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide: dopamine D4 ligand; structure in first source | ||
| 2-thiophen-2-yl-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester | quinolines | ||
| sb 242084 | 6-chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline: 5-HT(2C) receptor inverse agonist (antagonist); structure in first source | ||
| N-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]imine | imidazolines | ||
| 2-[4-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid methyl ester | benzoxazine | ||
| pd 168,077 | N-((4-(2-cyanophenyl)-1-piperazinyl)methyl)-3-methylbenzamide: a D4 dopamine receptor agonist | piperazines | |
| 2-chloro-5-hydroxyphenylglycine | 2-chloro-5-hydroxyphenylglycine: activates mGlu(5) receptors; structure in first source | ||
| l 663536 | 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase. MK-886: orally active leukotriene biosynthesis inhibitor | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
| 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester | benzimidazoles | ||
| illudalic acid | illudalic acid: isolated from Clitocybe illudens; structure in first source | ||
| 5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one | isoquinolines | ||
| 2-(1,3-benzothiazol-2-ylthio)-N-[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]acetamide | sulfonamide | ||
| 6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(6-methyl-2-pyridinyl)-4-bicyclo[2.1.1]hexanecarboxamide | aromatic amide | ||
| mrs 1523 | 2,3-diethyl-4,5-dipropyl-6-phenylpyridine-3-thiocarboxylate-5-carboxylate: adenosine A3 receptor antagonist | ||
| 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide | benzothiazoles | ||
| 1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea | pyrrolidines | ||
| ML162 | ML162 : A monochlorobenzene that is benzene substituted by (chloroacetyl){2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl}amino, chloro and methoxy groups at positions 1, 3 and 4, respectively. It is a covalent inhibitor of glutathione peroxidase 4 (GPX4) that induces ferroptosis in cells. | monochlorobenzenes; monomethoxybenzene; organochlorine compound; secondary carboxamide; tertiary carboxamide; thiophenes | EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer |
| 1-(phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea | tetralins | ||
| rs 102221 | aromatic ketone | ||
| 2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester | alpha-amino acid ester | ||
| 3-methyl-2-methylene-1,5-diphenylpentane-1,5-dione | aromatic ketone | ||
| 6-bromo-3'-nitroflavone | 6-bromo-3'-nitroflavone: a synthetic flavonoid with high affinity for the benzodiazepine receptors | ||
| 3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one | ring assembly; thiophenes | ||
| 6-cyano-7-nitroquinoxaline-2,3-dione | 6-Cyano-7-nitroquinoxaline-2,3-dione: A potent excitatory amino acid antagonist with a preference for non-NMDA iontropic receptors. It is used primarily as a research tool. | quinoxaline derivative | |
| 2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile | aromatic ketone | ||
| 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea | ureas | ||
| 2-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl ester | C-nitro compound | ||
| 5-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine | pyrazoles; ring assembly | ||
| 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine | pyrazoles; ring assembly | ||
| N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine | C-nitro compound | ||
| 1-[(2-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamide | pyridinecarboxamide | ||
| 4-acetyloxy-3-methoxybenzoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester | methoxybenzoic acid | ||
| 3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide | C-nitro compound | ||
| N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamide | piperazines | ||
| 7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone | quinazolines | ||
| N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide | benzamides | ||
| N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide | quinolines | ||
| 2-(4-phenyl-1-piperazinyl)quinoxaline | piperazines | ||
| 5-methyl-2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-thiazolecarboxylic acid ethyl ester | C-nitro compound | ||
| 2-amino-4-(2-fluorophenyl)-6-(3-pyridinyl)-3-pyridinecarbonitrile | bipyridines | ||
| 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3h)-quinazolinone | 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone: a mitochondrial division inhibitor | ||
| N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)-1-naphthalenecarboxamide | naphthalenecarboxamide | ||
| 1-(4-chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]urea | ureas | ||
| 2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile | bipyridines | ||
| N-[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | carbonyl compound; organohalogen compound | ||
| 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide | benzenes; sulfonamide | ||
| 6-nitro-3-phenyl-1H-benzimidazole-2-thione | benzimidazoles | ||
| 5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester | C-nitro compound; thiophenes | ||
| rs 17053 | indoles | ||
| fg 9041 | FG 9041: structure given in first source | quinoxaline derivative | |
| ro 106-9920 | Ro 106-9920: inhibits ubiquitination to block NF-kappaB-dependent cytokine expression; structure in first source | sulfoxide | |
| 4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine | benzodioxine; thienopyrimidine | ||
| 2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one | benzimidazoles | ||
| 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane | diarylmethane | ||
| 1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thiourea | phenylhydrazines | ||
| N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide | indoles | ||
| (4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanone | N-arylpiperazine | ||
| N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide | anthraquinone | ||
| 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | piperazines; pyrimido-indole | ||
| N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyrazinecarboxamide | organonitrogen compound; organooxygen compound | ||
| butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester | azobenzenes | ||
| 2-(1H-indol-3-yl)-8-methylimidazo[1,2-a]pyridine | imidazopyridine | ||
| N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide | tetralins | ||
| 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea | indoles | ||
| (5,7-dibromo-2-benzofuranyl)-(3,5-dimethyl-1-piperidinyl)methanone | benzofurans | ||
| [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone | piperazines | ||
| (6-bromo-5-methoxy-2-methyl-3-benzofuranyl)-[4-(2-methylphenyl)-1-piperazinyl]methanone | piperazines | ||
| 3,5-bis(4-methoxyphenyl)-1H-imidazole-2-thione | 1,3-dihydroimidazole-2-thiones | ||
| 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole | imidazoles | ||
| N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide | benzothiazoles | ||
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease. | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| 3-methoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide | benzothiazoles | ||
| tripropylene glycol diacrylate | tripropylene glycol diacrylate: a component of UV-Cured Lacquer; structure given in first source | ||
| 2-amino-3-phenylmethoxybutanedioic acid | aspartic acid derivative | ||
| 1,8-dimethoxyphenazine | phenazines | ||
| hydroxypioglitazone | hydroxypioglitazone : A member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone. leriglitazone: PPAR gamma agonist | aromatic ether; pyridines; thiazolidinediones | human xenobiotic metabolite |
| N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide | quinazolines | ||
| 1-(3,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea | thioureas | ||
| 1-(1-adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone | aryl sulfide | ||
| 1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea | carbazoles | ||
| [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone | quinolines | ||
| 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide | benzamides | ||
| 5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester | depsipeptide | ||
| sb 415286 | 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first source | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide | aromatic amide | ||
| 3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide | aminoquinoline | ||
| 2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazole | benzimidazoles | ||
| 5,5,7,7-tetramethyl-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid methyl ester | thienopyridine | ||
| 3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide | carbonyl compound; organohalogen compound | ||
| 1-(5-methyl-2-furanyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione | chromones | ||
| N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide | benzamides | ||
| stx-0119 | STX-0119: antineoplastic; structure in first source | ||
| 3-acetamido-N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(4-methylphenyl)thio]benzamide | benzamides | ||
| sch 79797 | quinazolines | ||
| 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4-thiazolidinone | dimethoxybenzene | ||
| LSM-26445 | organic heterotricyclic compound; organooxygen compound | ||
| 2-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole | triazoles | ||
| 6-benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone | aromatic ketone | ||
| N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide | benzimidazoles | ||
| jhw 015 | indolecarboxamide | ||
| bw 723c86 | tryptamines | ||
| N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide | sulfonamide | ||
| 1-(4-methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone | aromatic ketone | ||
| N-[4-[(1,2-dimethyl-5-indolyl)methylsulfamoyl]phenyl]acetamide | sulfonamide | ||
| am 281 | AM 281: radioligand for cannabinoid CB1 receptors; structure in first source | pyrazoles; ring assembly | |
| am 630 | iodopravadoline: an aminoalkylindole; a competitive cannabinoid receptor antagonist; structure given in first source | N-acylindole | |
| N-(1,3-benzodioxol-5-yl)-6-chloro-2-(2-pyridinyl)-3-imidazo[1,2-a]pyridinamine | imidazopyridine | ||
| 3-[(4-bromophenoxy)methyl]benzohydrazide | benzoic acids | ||
| 5H-phenanthridine-6-thione | phenanthridines | ||
| 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester | quinolines | ||
| 2-nitro-4-phenylenediamine | 2-nitro-4-phenylenediamine: 2-nitro-1,4-benzenediamine; RN given refers to parent cpd 2-nitro-p-phenylenediamine : A primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application). | C-nitro compound; primary amino compound | |
| 2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester | thiophenecarboxylic acid | ||
| le 300 | indoles | ||
| 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone | C-nitro compound | ||
| seryl-proline | Ser-Pro : A dipeptide formed from L-serine and L-proline residues. | dipeptide | metabolite |
| gl-4 | |||
| sitagliptin | sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity. | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
| pd 407824 | |||
| tanaproget | tanaproget: structure in first source | ||
| ver-49009 | 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide : An aromatic amide obtained by formal condensation of the carboxy group of 5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)pyrazole-3-carboxylic acid with the amino group of ethylamine. VER-49009: inhibits heat shock protein 90 molecular chaperone; structure in first source | aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols | Hsp90 inhibitor |
| iododiflunisal | iododiflunisal: an amyloid inhibitor; structure in first source | ||
| 2-[(2-nitro-3-pyridinyl)oxy]-N-[2-(phenylthio)phenyl]acetamide | aryl sulfide | ||
| 2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
| 2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone | toluenes | anticoronaviral agent | |
| 2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide | tetralins | ||
| 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine | organochlorine compound | ||
| LSM-16446 | pyridopyrimidine | ||
| 2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophenecarboxamide | aromatic amide; thiophenes | ||
| 5-methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione | 5-methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione: structure in first source | ||
| N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide | piperidines | ||
| 2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide | aromatic ketone | ||
| 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 4-hydroxy-5-methyl-3(2h)-furanone | 4-hydroxy-5-methyl-3-furanone : A member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3. | cyclic ketone; enol; furans | metabolite |
| 1-(4-methoxyphenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea | thioureas | ||
| 5-[(4-phenyl-1-piperazinyl)-thiophen-2-ylmethyl]-6-thiazolo[3,2-b][1,2,4]triazolol | piperazines | ||
| ly 367265 | LY 367265: a 5-hydroxytryptamine transporter inhibitor; a 5-HT(2A) receptor antagonist; structure in first source LY-367,265 : A fluoroindole that is 1H-indole in which the hydrogens at positions 3 and 6 are replaced by 1-[2-(2,2-dioxo-5,6-dihydro-4H-2lambda(6)-[1,2,5]thiadiazolo[4,3,2-ij]quinolin-1(2H)-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl and fluoro groups, respectively. It is an inhibitor of the 5-hydroxytryptamine transporter (Ki = 2.3 nM) and an antagonist of 5-hydroxytryptamine(2A) receptor (Ki = 0.81 nM). | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor |
| 2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
| 2-[8-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester | alpha-amino acid ester | ||
| 2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| N-(3-acetylphenyl)-2-[[6-chloro-3-(2-hydroxypropyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetamide | aromatic ketone | ||
| 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone | pyrroles | ||
| 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester | C-nitro compound; thiophenes | ||
| tolcapone | tolcapone : Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase. Tolcapone: A benzophenone and nitrophenol compound that acts as an inhibitor of CATECHOL O-METHYLTRANSFERASE, an enzyme involved in the metabolism of DOPAMINE and LEVODOPA. It is used in the treatment of PARKINSON DISEASE in patients for whom levodopa is ineffective or contraindicated. | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| 4-chloro-N-[3-(N-methylanilino)-1,4-dioxo-2-naphthalenyl]benzamide | 1,4-naphthoquinones | ||
| 5-Nitroisatin | indoles | anticoronaviral agent | |
| 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester | amidobenzoic acid | ||
| 2-[4-(difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester | benzoate ester | ||
| 3-propoxy-beta-carboline | 3-propoxy-beta-carboline: structure in first source | ||
| 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide | isoquinolines | ||
| 8-nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinoline | isoquinolines | ||
| N-Cyclopentyl-2-(N-methyl3-chlorobenzenesulfonamido)acetamide | sulfonamide | anticoronaviral agent | |
| 1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea | ureas | ||
| [[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester | thiazoles | ||
| 4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-1-cyclohexanecarboxylic acid | isoflavonoid | ||
| 1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thiourea | indoles | ||
| 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-(5-methyl-2-thiazolyl)benzamide | sulfonamide | ||
| 2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamide | benzoic acids | ||
| 6-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester | pyrazoles; ring assembly | ||
| 5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one | organonitrogen compound; organooxygen compound | ||
| 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea | ureas | ||
| 5-[(3-nitro-2-pyridinyl)thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine | aryl sulfide | ||
| N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | naphthalenes | ||
| N-[[1-(2-phenoxyethyl)-2-benzimidazolyl]methyl]aniline | benzimidazoles | ||
| LSM-4833 | quinolines | ||
| N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide | aromatic amide | anticoronaviral agent | |
| 6-(4-methoxyphenyl)-8-methyl-4-oxo-6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylic acid O7-ethyl ester O2-methyl ester | methoxybenzenes | ||
| 5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamine | aminopyridine | ||
| 2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | pyrazolidines | anticoronaviral agent | |
| 1-[[3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-2-quinolinone | quinolines | ||
| 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester | alpha-amino acid ester | ||
| 2-amino-5-nitrophenol | 2-amino-5-nitrophenol: RN & structure given in first source | 3-nitrophenols | |
| np 118809 | 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one: an N-type calcium channel blocker; structure in first source | ||
| 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide | thioureas | ||
| diclofenac sodium | diclofenac sodium : The sodium salt of diclofenac. Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties. | organic sodium salt | |
| cgp 7930 | 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first source | alkylbenzene | |
| abt724 | ABT724: dopamine D4 receptors agonist; structure in first source | piperazines; pyridines | |
| 1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol : A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. | phenols; pyrazoles | estrogen receptor agonist |
| N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide | sulfonamide | ||
| (4-chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone | naphthalenes | ||
| 1,3-dimethyl-8-(3-methyl-1-piperidinyl)-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dione | oxopurine | ||
| mrs2159 | MRS2159: an antagonist of both P2X1 and P2X7 receptors | ||
| imd 0354 | N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source | benzamides | |
| 2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl ester | pyranopyranone | ||
| 1,2-diamino-4-nitrobenzene | 1,2-diamino-4-nitrobenzene: reagent for determination of selenium in milk with gas chromatograph 4-nitro-1,2-phenylenediamine : The primary amino compound that is 1,2-phenylenediamine (o-phenylenediamine) substituted at the 4- (para-) position by a nitro group. | C-nitro compound; primary amino compound | |
| ex 527 | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source | carbazoles; monocarboxylic acid amide; organochlorine compound | |
| 6-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-cyclohexyl-1,2,4,5-tetrazin-3-amine | tetrazine | ||
| 1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea | thioureas | ||
| 2-[(1-methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone | piperazines | ||
| 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]phenol | piperazines | ||
| N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| fosmidomycin monosodium salt | |||
| 5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamide | dichlorobenzene | ||
| 6-iodonordihydrocapsaicin | 6-iodonordihydrocapsaicin: a TRPV1 antagonist | methoxybenzenes; phenols | |
| 4,5,6,7-tetrabromobenzimidazole | 4,5,6,7-tetrabromobenzimidazole: structure in first source | ||
| (3,5-dichloroanilino)thiourea | dichlorobenzene | ||
| 1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine | pyrazolopyrimidine | tyrosine kinase inhibitor | |
| 4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester | benzoate ester | ||
| ncgc00099374 | |||
| 4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione | quinazolines | ||
| sib 1757 | SIB 1757: a selective mGluR5 antagonist; structure in first source | ||
| N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2-oxo-1-benzopyran-3-carboxamide | aromatic amide | ||
| sodium butyrate | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector | |
| N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide | benzothiazoles | ||
| 2',3-dihydroxychalcone | 2',3-dihydroxychalcone: structure in first source | ||
| 7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one | ether; flavonoids | ||
| dibutyl maleate | |||
| ginkgetin | ginkgetin : A biflavonoid that is the 7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2. ginkgetin: from Cephalotaxus drupacea; biflavone; active against HSV-1; structure given in first source | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
| benzyl cinnamate | benzyl cinnamate : The cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. benzyl cinnamate: structure in first source | cinnamate ester | antigen; epitope; fixative; flavouring agent; fragrance |
| 5,6-dehydrokawain | 5,6-dehydrokawain: from Alpinia speciosa rhizoma; RN given for cpd without isomeric designation; structure given in first source | 2-pyranones; aromatic ether | |
| eupatilin | eupatilin : A trimethoxyflavone that is flavone substituted by hydroxy groups at C-5 and C-7 and methoxy groups at C-6, C-3' and C-4' respectively. Isolated from Citrus reticulata and Salvia tomentosa, it exhibits anti-inflammatory, anti-ulcer and antineoplastic activities. eupatilin: isolated from Artemisia argyi | dihydroxyflavone; trimethoxyflavone | anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
| sq 109 | N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine: has antitubercular activity | ||
| tak-220 | TAK-220: structure in first source | ||
| gallocatechin-3-gallate | (+)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin. gallocatechin gallate: structure in first source | catechin; gallate ester; polyphenol | plant metabolite |
| ku 55933 | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one: specific inhibitor of the ataxia-telangiectasia mutated kinase ATM; structure in first source | ||
| quercetin | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger | |
| dinoprostone | prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
| dinoprost | Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor. | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
| biochanin a | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | |
| formononetin | 4'-methoxyisoflavones; 7-hydroxyisoflavones | phytoestrogen; plant metabolite | |
| prostaglandin b1 | prostaglandin B1 : A member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer). prostaglandin Bx: phospholipase A2 inhibitor; polymeric derivative of diketo-PGB1; mean MW 2,200 | prostaglandins B | human metabolite |
| arachidonyltrifluoromethane | AACOCF3 : A fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group arachidonyltrifluoromethane: structure given in first source; inhibits 85-kDa phospholipase A2 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
| acacetin | 5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. | dihydroxyflavone; monomethoxyflavone | anticonvulsant; plant metabolite |
| apigenin | Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | trihydroxyflavone | antineoplastic agent; metabolite |
| luteolin | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist | |
| linoleic acid | linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed) | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
| calcitriol | dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
| pinosylvin | pinosylvin: phytoalexin found in pine and eucalyptus | pinosylvin | |
| scopoletin | hydroxycoumarin | plant growth regulator; plant metabolite | |
| vomifoliol | (6S,9R)-vomifoliol : A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. blumenol A: a phytotoxin isolated from Oryza sativa Awaakamai; structure in first source vomifoliol : A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4. | (6S)-vomifoliol | metabolite; phytotoxin |
| herbacetin | herbacetin : A pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. herbacetin: from Ramose Scouring Rush Herb; structure in first source | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite |
| hymecromone | Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID. | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
| daphnetin | hydroxycoumarin | ||
| 5'-o-caffeoylquinic acid | trans-5-O-caffeoyl-D-quinic acid : A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. | cinnamate ester; cyclitol carboxylic acid | plant metabolite |
| luteolin-7-glucoside | luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
| gossypetin | gossypetin : A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions. gossypetin: inhibits activity of penicillinase enzyme in E coli | 7-hydroxyflavonol; hexahydroxyflavone | plant metabolite |
| ayanin | 3',5-dihydroxy-3,4',7-trimethoxyflavone : A trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4' and 7 have been replaced by methoxy groups. ayanin: has cytoprotective and anti-neuroinflammatory activities; isolated from Croton schiedeanus (Euphorbiaceae); structure in first source | dihydroxyflavone; trimethoxyflavone | plant metabolite |
| apigetrin | apigenin 7-O-beta-D-glucoside : A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. apigetrin: structure given in first source | beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative | antibacterial agent; metabolite; non-steroidal anti-inflammatory drug |
| alprostadil | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent | |
| cyclosporine | |||
| vitamin d 2 | Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa. | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
| cholecalciferol | calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24. | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
| quercetin 3-o-glucopyranoside | quercetin 3-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells quercetin 3-O-glucopyranoside: structure in first source | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
| rutin | Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
| kaempferol | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite | |
| prostaglandin a2 | prostaglandin A2: RN given refers to (5Z,13E,15S)-isomer | prostaglandins A | human metabolite |
| zeaxanthin | Zeaxanthins: Carotenoids found in fruits and vegetables. Zeaxanthin accumulates in the MACULA LUTEA. | carotenol | antioxidant; bacterial metabolite; cofactor |
| lipoxin a4 | lipoxin A4 : A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. lipoxin A4: an antifibrolytic agent; structure given in first source; a role in ASPIRIN antiinflammatory activity | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
| gamma-linolenic acid | gamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12. gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed) | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
| alpha-linolenic acid | linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid. linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins. | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
| harmine | harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's. | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
| rescinnamine | rescinnamine: was heading 1966-94 (see under RESERPINE 1966-90); use RESERPINE to search RESCINNAMINE 1966-94 | indole alkaloid; methyl ester; organic heteropentacyclic compound | antihypertensive agent |
| genistein | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | |
| amphotericin b | amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections. Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela. | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
| pulmicort | budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis. Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS. | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
| prochlorperazine maleate | maleate salt | ||
| oxymetholone | oxymetholone : A 3-oxo-5alpha- steroid that is 4,5alpha-dihydrotestosterone which is substituted by a hydroxymethylidene group at position 2 and by a methyl group at the 17alpha position. A synthetic androgen, it was mainly used for the treatment of anaemias until being replaced by treatments with fewer side effects. Oxymetholone: A synthetic hormone with anabolic and androgenic properties. It is used mainly in the treatment of anemias. According to the Fourth Annual Report on Carcinogens (NTP 85-002), this compound may reasonably be anticipated to be a carcinogen. (From Merck Index, 11th ed) | ||
| pyrvinium | pyrvinium : A quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents. pyrvinium: RN given refers to parent cpd; synonyms vanquin & vankin refer to pamoate[2:1]; structure in Merck Index, 9th ed, #7810 | quinolinium ion | anthelminthic drug; antineoplastic agent |
| montelukast | montelukast: a leukotriene D4 receptor antagonist | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
| clothiapine | maleate salt | ||
| timolol maleate | (S)-timolol maleate : The maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid. | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
| bisoprolol fumarate | fumarate salt | ||
| clemastine fumarate | clemastine fumarate : The fumaric acid salt of clemastine. An antihistamine with antimuscarinic and moderate sedative properties, it is used for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
| methysergide maleate | ergoline alkaloid | ||
| mycophenolate mofetil | mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases. | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
| entacapone | entacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group. entacapone: structure given in first source | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| paricalcitol | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug | |
| 2-hexenal, z-isomer | (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. 2-hexenal : A hexenal having the double bond at the 2-position. 2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation | 2-hexenal | antibacterial agent; flavouring agent; plant metabolite |
| aureusidin | aureusidin : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 4, 6, 3' and 4' respectively. aureusidin: structure in first source | hydroxyaurone | plant metabolite |
| butein | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor | |
| canthaxanthin | canthaxanthin : A carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4'. Canthaxanthin: A trans-carotenoid pigment widely distributed in nature. The compound is used as an oral suntanning agent and as a food and drug coloring agent. Oral ingestion of the compound causes canthaxanthin retinopathy. | carotenone | biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite |
| gardenia yellow | crocin-1 : A diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. gardenia yellow: extract of gardenia fruit; RN given refers to cpd with unknown MF | diester; disaccharide derivative; diterpenoid | antioxidant; food colouring; histological dye; plant metabolite |
| lutein | Lutein: A xanthophyll found in the major LIGHT-HARVESTING PROTEIN COMPLEXES of plants. Dietary lutein accumulates in the MACULA LUTEA. xanthophyll : A subclass of carotenoids consisting of the oxygenated carotenes. | carotenol | food colouring; plant metabolite |
| polydatin | zeaxanthin dipalmitate: from fruit of Lycium chinense; structure in first source | xanthophyll | |
| hispidol | hispidol : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 6 and 4' respectively. | hydroxyaurone | plant metabolite |
| okanin | okanin : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 3, 4, 2', 3', and 4' respectively. okanin: hypoglycemic from Coreopsis tinctoria; structure in first source | benzenetriol; chalcones | plant metabolite |
| sulfuretin | sulfuretin: the chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl | 1-benzofurans | |
| harman | harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. harman: a beta-carboline; RN given refers to parent cpd; structure | harmala alkaloid; indole alkaloid; indole alkaloid fundamental parent | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| Rhynchophylline | indolizines | metabolite | |
| esculetin | esculetin : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. esculetin: used in filters for absorption of ultraviolet light; structure | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
| esculin | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite | |
| 7-hydroxycoumarin | 7-oxycoumarin: derivatives have anti-oxidant properties umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
| costunolide | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite | |
| molephantinin | molephantinin: germacranolide from Elephantopus mollis; RN given refers to (3aR-(3aR*,4S*(E),6E,9Z,11S*,11aS*))-isomer; structure in first source | germacranolide | |
| alpha-farnesene | alpha-farnesene : A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively. alpha-farnesene: structure given in first source farnesene : A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene. | alpha-farnesene | |
| kavain | 2-pyranones; aromatic ether | ||
| zearalenone | zearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes. | macrolide; resorcinols | fungal metabolite; mycoestrogen |
| agathisflavone | agathisflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-6 and C-8 of the two chromene rings. agathisflavone: bis-apigenin coupled at 6 and 8 positions; isolated from the plant Canarium manii; has hepatoprotective activity against carbon tetrachloride-induced hepatotoxicity | biaryl; biflavonoid; hydroxyflavone | antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite |
| amentoflavone | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite | |
| baicalein | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger | |
| chrysin | chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
| cupressuflavone | cupressuflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-8 of the two chromene rings respectively. Isolated from Cupressus sempervirens and Juniperus occidentalis, it exhibits free radical scavenging and antielastase activities. cupressuflavone: from Cupressus macrocarpa; structure in first source | biflavonoid; hydroxyflavone; ring assembly | EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger |
| datiscetin | datiscetin : A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5. | 7-hydroxyflavonol; tetrahydroxyflavone | |
| 3,7,4'-trihydroxyflavone | 3,7,4'-trihydroxyflavone: structure in first source | hydroxyflavan | |
| diosmetin | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent | |
| diosmin | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant | |
| fisetin | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite | |
| galangin | 5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
| hinokiflavone | hinokiflavone : A biflavonoid that is apigenin substituted by a 4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy group at position 6. A diflavonyl ether, it is isolated from Rhus succedanea and has been found to possess significant cytotoxic potential. hinokiflavone: from Rhus succedanea; structure given in first source | aromatic ether; biflavonoid; hydroxyflavone | antineoplastic agent; metabolite; neuroprotective agent |
| hispidulin | hispidulin : A monomethoxyflavone that is scutellarein methylated at position 6. | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
| euxanthone | euxanthone : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. | phenols; xanthones | metabolite; plant metabolite |
| gartanin | gartanin : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 5 and 8 and prenyl groups at positions 2 and 4. | polyphenol; xanthones | antineoplastic agent; plant metabolite |
| gentiacaulein | gentiacaulein : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6. gentiacaulein: structure in first source | aromatic ether; polyphenol; xanthones | plant metabolite |
| mangiferin | shamimin: isolated from the leaves of Bombax ceiba; structure in first source | C-glycosyl compound; xanthones | anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
| mangostin | alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. mangostin: xanthone from rind of Garcinia mangostana Linn. fruit | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
| norlichexanthone | norlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus. norlichexanthone: isolated from fungus P16; structure in first source | polyphenol; xanthones | antimalarial; fungal metabolite |
| kuwanon g | kuwanon G: a non-peptide bombesin receptor antagonist; RN refers to (1S-(1alpha,5alpha,6beta))-isomer; structure given in first source kuwanone G : A tetrahydroxyflavone isolated from the root barks of Morus alba and has been shown to exhibit anti-inflammatory activity. | resorcinols; tetrahydroxyflavone | anti-inflammatory agent; plant metabolite |
| morin | morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria) | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
| morusin | morusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. morusin: from Morus root bark; structure given in first source | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
| myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
| pachypodol | pachypodol : A trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana. pachypodol: new flavonoid isolated from Pachypodanthium confine; from Chinese herb Agastache folium; structure | dihydroxyflavone; trimethoxyflavone | antiemetic; plant metabolite |
| quercetagetin | quercetagetin : A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively. quercetagetin: structure given in first source; inhibits aldose reductase in rat lens | flavonols; hexahydroxyflavone | antioxidant; antiviral agent; plant metabolite |
| robinetin | robinetin : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'. robinetin: structure given in first source | 7-hydroxyflavonol; pentahydroxyflavone | plant metabolite |
| robustaflavone | robustaflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-3 of the hydroxyphenyl ring and C-6 of the chromene ring. Isolated from Thuja orientalis and Rhus succedanea it exhibits antioxidant, cytotoxic and anti-hepatitis B activity. robustaflavone: bis-apigenin coupled at 6 and 3' positions; a potential non-nucleoside anti-hepatitis B agent; | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
| santin | santin : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively. santin: from Tanacetum microphyllum; structure given in first source | dihydroxyflavone; trimethoxyflavone | plant metabolite |
| sciadopitysin | sciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone. sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | bone density conservation agent; platelet aggregation inhibitor |
| scutellarein | scutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7. scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein | tetrahydroxyflavone | metabolite |
| wogonin | wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. wogonin: structure in first source | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
| coumestrol | coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity. | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
| daidzein | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite | |
| trans-2,3',4,5'-tetrahydroxystilbene | trans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrol | stilbenoid | |
| polydatin | trans-piceid : A stilbenoid that is trans-resveratrol substituted at position 3 by a beta-D-glucosyl residue. | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
| Pinosylvin methyl ether | stilbenoid | ||
| pterostilbene | diether; methoxybenzenes; stilbenol | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger | |
| chicoric acid | chicoric acid: inhibits HIV-1 integrase | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
| 3,4-di-o-caffeoylquinic acid | 3,4-di-O-caffeoylquinic acid: isolated from Siphonostegia chinensis | quinic acid | |
| caffeic acid phenethyl ester | phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
| 1,1-dimethylallyl caffeic acid ester | 1,1-dimethylallyl caffeic acid ester: structure given in first source | hydroxycinnamic acid | |
| rosmarinic acid | (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. rosmarinic acid: RN given refers to parent cpd; promote OT project | rosmarinic acid | geroprotector; plant metabolite |
| salvianolic acid a | salvianolic acid A: a nootropic depside from Salvia miltiorrhizia | stilbenoid | |
| shogaol | shogaol: from ginger, ZINGIBER OFFICINALE; less mutagenic than GINGEROL; structure given in first source | enone; monomethoxybenzene; phenols | |
| prunetin | prunetin : A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group. prunetin: reduces herpes virus-1 plaque formation | 7-methoxyisoflavones; hydroxyisoflavone | anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
| psi-baptigenin | pseudobaptigenin : A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. | 7-hydroxyisoflavones; benzodioxoles | antiprotozoal drug; plant metabolite |
| psoralidin | psoralidin : A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. | coumestans; delta-lactone; polyphenol | estrogen receptor agonist; plant metabolite |
| tectorigenin | tectorigenin : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. tectorigenin: tectoridin is glycosylated form | 7-hydroxyisoflavones; methoxyisoflavone | anti-inflammatory agent; plant metabolite |
| wedelolactone | wedelolactone : A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3. wedelolactone: antihepatotoxic coumestan from Eclipta prostrata and Wedelia calendulacea (both Asteraceae); structure given in first source | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite |
| Licarin A | benzofurans | ||
| ellagic acid | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent | |
| 3,3',4-o-trimethylellagic acid | 3,7,8-tri-O-methylellagic acid: structure given in first source | tannin | |
| savinin | savinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2. savinin: a lignan from Pterocarpus santalinus inhibits tumor necrosis factor-alpha production and T cell proliferation; structure in first source | benzodioxoles; gamma-lactone; lignan | anti-inflammatory agent; anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite; T-cell proliferation inhibitor |
| cyhalothrin | cyhalothrin : A carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. cyhalothrin: acaricidal & insecticidal synthetic pyrethroid; structure given in first source | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
| hydramethylnon | hydramethylnon : A member of the class of hydrazones that is used as an insecticide for control of ants and cockroaches. hydramethylnon: used as fire ant insecticide in southern USA; poorly absorbed by mammals & more than 95% is excreted unchanged in the feces | hydramethylnon | |
| flupenthixol | cis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration. | flupenthixol | dopaminergic antagonist |
| l 660,711 | quinolines | ||
| 7-hydroxyflavone | 7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. | hydroxyflavonoid | |
| prostaglandin a1 | prostaglandins A | ||
| tectochrysin | tectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. tectochrysin: structure in first source | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
| curacin a | curacin A: RN refers to curacin A (the Z,E,E-isomer), the major lipid component of a strain of the marine cyanobacterium Lyngbya majuscula; structure given in first source | thiazoles | |
| anandamide | anandamide : An N-acylethanolamine 20:4 resulting from the formal condensation of carboxy group of arachidonic acid with the amino group of ethanolamine. | endocannabinoid; N-acylethanolamine 20:4 | human blood serum metabolite; neurotransmitter; vasodilator agent |
| 4',7-dihydroxyflavone | 4',7-dihydroxyflavone : A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7. 4',7-dihydroxyflavone: inducer of nod gene | dihydroxyflavone | metabolite |
| arachidonyl dopamine | arachidonyl dopamine: a ligand for the vanilloid receptor VR1 | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | |
| n-oleoyldopamine | N-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist. N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
| cilnidipine | 2-methoxyethyl ester; C-nitro compound; dihydropyridine | antihypertensive agent; calcium channel blocker; cardiovascular drug | |
| gamma-oryzanol | cycloartenyl ferulate: antinociceptive agent from rice bran; structure in first source | triterpenoid | |
| uf 021 | isopropyl unoprostone : The isopropyl ester of unoprostone. isopropyl unoprostone: a safe and effective ocular hypotensive drug | isopropyl ester; ketone; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; prodrug |
| tocoretinate | tocoretinate: a hybrid compound composed of alpha-tocopherol esterified with retinoic acid; RN refers to (2R*(4R*,8R*)-(+-))-isomer | tocol | |
| sorivudine | organic molecular entity | ||
| pelubiprofen | pelubiprofen: RN & structure given in first source; RN not in Chemline 3/84 | ||
| tak 147 | TAK 147: structure given in first source | ||
| sofalcone | sofalcone : A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea. | aromatic ether; chalcones; monocarboxylic acid | anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite |
| tranilast | tranilast : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group. tranilast: antiallergic drug; potent inhibitor of homologous passive cutaneous anaphylaxis | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent |
| homo-gamma-linolenylethanolamide | homo-gamma-linolenylethanolamide: found in brain; binds to the cannabinoid receptor; RN given for (Z,Z,Z)-isomer; structure given in first source | N-acylethanolamine 20:3 | |
| 7,10,13,16-docosatetraenylethanolamide | 7,10,13,16-docosatetraenylethanolamide: found in brain; binds to the cannabinoid receptor; structure given in first source; RN given refers to (ALL-Z)-isomer | N-acylethanolamine 22:4 | |
| l 735821 | L 735821: inhibits KCNQ2 channels | N-acyl-amino acid | |
| glyceryl 2-arachidonate | 2-arachidonoylglycerol : An endocannabinoid and an endogenous agonist of the cannabinoid receptors (CB1 and CB2). It is an ester formed from omega-6-arachidonic acid and glycerol. glyceryl 2-arachidonate: binds to cannabinoid receptors; structure in first source | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
| trimipramine maleate | maleate salt | antidepressant | |
| 4-hydroxyestradiol | 4-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4. 4-hydroxyestradiol: catechol estrogen | 4-hydroxy steroid | metabolite |
| 4-hydroxychalcone | 4-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. 4-hydroxychalcone: structure in first source | chalcones; phenols | antihypertensive agent; plant metabolite |
| 4'-hydroxychalcone | 4'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4'. 4'-hydroxychalcone: inhibits TNFalpha-induced NF-κB activation; structure in first source | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
| 4,4'-dihydroxystilbene | stilbene-4,4'-diol | ||
| menatetrenone | menaquinone-4 : A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
| etretinate | retinoid : Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. | enoate ester; ethyl ester; retinoid | keratolytic drug |
| isotretinoin | isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases. Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects. | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
| misoprostol | misoprostol : A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form. Misoprostol: A synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties. | ||
| dothiepin hydrochloride | Dothiepin: A tricyclic antidepressant with some tranquilizing action. | dothiepin | |
| irsogladine | dichlorobenzene | ||
| triprolidine | triprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders. Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness. | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
| nk 104 | pitavastatin calcium : The calcium salt of pitavastatin. Used for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. | calcium salt; statin (synthetic) | antioxidant |
| levomepromazine maleate | |||
| homatropine | tropane alkaloid | ||
| 9-hydroxy-10,12-octadecadienoic acid | 9-HODE : A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. 9-hydroxy-10,12-octadecadienoic acid: RN given refers to unspecified stereoisomer | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
| 2,4-decadienal | (2E,4E)-deca-2,4-dienal : A polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes. | polyunsaturated fatty aldehyde | apoptosis inducer; nematicide |
| oleylamide | aliphatic amide : A carboxamide in which the amide linkage is bonded directly to an aliphatic system. oleamide : A fatty amide derived from oleic acid. oleylamide: plastic additive; can cause contact urticaria; RN given refers to (Z)-isomer; a sleep inducing factor | primary fatty amide | human metabolite; plant metabolite |
| n-arachidonylglycine | N-arachidonoylglycine : Biologically active derivative of anandamide N-arachidonylglycine: structure in first source | fatty amide; N-acylglycine | |
| arachidonoyl amine | arachidonoyl amine : A primary fatty amide resulting from the formal condensation of the carboxy group of arachidonic acid with ammonia. | primary fatty amide | cannabinoid receptor agonist |
| linoleoyl ethanolamide | linoleoyl ethanolamide : An N-acylethanolamine 18:2 that is the ethanolamide of linoleic acid. linoleoyl ethanolamide: RN given for (Z,Z)-isomer | N-acylethanolamine 18:2 | EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor |
| N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine | N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide) | endocannabinoid; N-acylethanolamine 22:6 | |
| n-oleoylethanolamine | N-oleoylethanolamine: ceramidase inhibitor oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide. | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
| sphingosine 1-phosphate | sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1 sphingosine 1-phosphate: RN given refers to (R-(R*,S*-(E)))-isomer; RN for cpd without isomeric designation not available 8/89 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
| cholesta-3,5-dien-7-one | |||
| astrogorgiadiol | astrogorgiadiol: structure in first source | sesquiterpenoid | |
| 3-ketolithocholic acid | 3-ketolithocholic acid: structure in first source | oxo-5beta-cholanic acid | |
| cinnamyl anthranilate | benzoate ester | ||
| codeine | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic | |
| cyclosporine | ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
| di-allate | di-allate: RN given refers to cpd without isomeric designation; structure | tertiary amine | |
| methyl linoleate | fatty acid methyl ester | plant metabolite | |
| perhexiline maleate | |||
| phenoxybenzamine hydrochloride | organic molecular entity | ||
| phenylephrine hydrochloride | Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine. | hydrochloride | |
| phenylethyl 3-methylcaffeate | phenylethyl 3-methylcaffeate: a caffeic acid ester present in propolis, a natural resin produced by honey bees; structure given in first source | ||
| mepyramine maleate | histosol: proprietary mixture of synthetic aromatic hydrocarbons forming an extremely nonpolar organic solvent | ||
| quercetin | |||
| beta-nitrostyrene | beta-nitrostyrene: RN given refers to cpd without isomeric designation | ||
| tetrachlorvinphos | Tetrachlorvinphos: An organophosphate cholinesterase inhibitor that is used as an insecticide. It has low mammalian toxicity. (From Merck Index, 11th ed) | alkenyl phosphate; dialkyl phosphate; organochlorine insecticide; organophosphate insecticide; trichlorobenzene | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| toxaphene | |||
| zinc dibutyldithiocarbamate | zinc dibutyldithiocarbamate : A dithiocarbamate salt that is the zinc salt of dibutyldithiocarbamic acid. zinc dibutyldithiocarbamate: vulcanization accelator | dithiocarbamate salt; zinc molecular entity | antifungal agrochemical |
| acitretin | acitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9. Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate. | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
| ethisterone | ethisterone : A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. Ethisterone: 17 alpha-Hydroxypregn-4-en-20-yn-3-one. A synthetic steroid hormone with progestational effects. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | drug metabolite; progestin |
| hydrocodone | hydrocodone : A morphinane-like compound that is a semi-synthetic opioid synthesized from codeine. Hydrocodone: Narcotic analgesic related to CODEINE, but more potent and more addicting by weight. It is used also as cough suppressant. | morphinane-like compound; organic heteropentacyclic compound | antitussive; mu-opioid receptor agonist; opioid analgesic |
| hydromorphone | hydromorphone : A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class. Hydromorphone: An opioid analgesic made from MORPHINE and used mainly as an analgesic. It has a shorter duration of action than morphine. | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
| nabilone | nabilone: cannabinol deriv; RN given refers to cpd without isomeric designation; structure | ||
| nalmefene | nalmefene: RN given refers to 5-alpha isomer | morphinane alkaloid | |
| oxycodone | oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain. Oxycodone: A semisynthetic derivative of CODEINE. | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
| oxymorphone | Oxymorphone: An opioid analgesic with actions and uses similar to those of MORPHINE, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092) | morphinane alkaloid | |
| vitamin k 1 | phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
| proscillaridin | Proscillaridin: A cardiotonic glycoside isolated from Scilla maritima var. alba (Squill). | organic molecular entity | |
| sirolimus | sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties. | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
| topiramate | topiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine. Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss. | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
| genistin | acrovestone; isoflavonoid | ||
| afimoxifene | |||
| 3',4',7-trihydroxyisoflavone | 3',4',7-trihydroxyisoflavone : A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. 3',4',7-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first source | 7-hydroxyisoflavones | antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
| 4-hydroxystilbene | 4-hydroxystilbene: RN given refers to cpd without isomeric designation stilben-4-ol : A phenol having the structure of stilbene with a hydroxy function at C-4 of one of the phenyl rings; the stereochemistry across the alkene bond is not specified. | stilben-4-ol | |
| 6-methylpurine | 6-methylpurine : Purine bearing a methyl substituent at position 6. | purines | EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
| lg 100567 | ALRT 1550: ALRT1550 is (2E,4E,6E)-isomer; LG100567 is (2E,4E,6Z)-isomer; structure given in first source | ||
| ophiocordin | azepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin) | ||
| as 604850 | |||
| alvocidib | alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. alvocidib: structure given in first source | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| fenretinide | 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids. Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent. | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
| topiroxostat | FYX-051: xanthine oxidoreductase inhibitor | ||
| geldanamycin | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor | |
| gw 5638 | 3-(4-(1,2-diphenylbut-1-enyl)phenyl)acrylic acid: exhibits estrogen agonist activity in bone and estrogen antagonist activity in uterus; structure in first source | ||
| ic 261 | IC 261: a caseine kinase-1 inhibitor; structure in first source | ||
| tmi-1 | |||
| nutlin 2 | |||
| 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin | 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin: structure in first source alvespimycin : A 19-membered macrocyle that is geldanamycin in which the methoxy group attached to the benzoquinone moiety has been replaced by a 2-(N,N-dimethylamino)ethylamino group. | 1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound | Hsp90 inhibitor |
| morphine | Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn. | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
| n-acetylglucosamine thiazoline | N-acetylglucosamine thiazoline: an analog of the oxazolinium bicyclic intermediate leading from N-acetylglucosamine to 1,6-anhydro-N-acetylmuramic acid | ||
| as 605240 | (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione : A quinoxaline derivative that is quinoxaline in which the hydrogen at position 6 is replaced by a (2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl group. It is a potent inhibitor of the PI3Kgamma, with an IC50 of 8 nM and inhibits the progression of joint inflammation and damage in both lymphocyte-independent and dependent mouse models of rheumatoid arthritis. 5-quinoxalin-6-ylmethylenethiazolidine-2,4-dione: a PI3Kgamma inhibitor; structure in first source | quinoxaline derivative; thiazolidinediones | anti-inflammatory agent; antirheumatic drug; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| aftin-4 | aftin-4: increases production of amyloid-beta protein (1-42) | ||
| su 5402 | SU 5402: structure given in first source SU5402 : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. | ||
| su 9516 | |||
| 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid: RN refers to (E)-isomer; structure given in first source arotinoid acid : A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR). | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
| 2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one | isoindoles | ||
| 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone | 1,3-oxazoles | ||
| 1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide | pyrroloquinoline | ||
| 3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamide | pyrazoles; ring assembly | ||
| N-(5-bromo-2-thiazolyl)-3-phenyl-2-(1-pyrrolyl)propanamide | amphetamines | ||
| 4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamide | methoxybenzenes | ||
| 3-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one | N-arylpiperazine | ||
| 2-[[oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester | aromatic amide | ||
| 3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide | pyrazoles; ring assembly | ||
| [4-(3-methoxyphenyl)-1-piperazinyl]-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methanone | piperazines | ||
| 4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester | pyrazoles; ring assembly | ||
| 1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide | 1,3-oxazoles | ||
| 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide | oxadiazole; ring assembly | ||
| 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-one | isoindoles | ||
| N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide | aromatic amide | ||
| 4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide | 1,3-oxazoles | ||
| N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
| 3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | 4'-methoxyisoflavones | ||
| N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide | piperidines | ||
| N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinamine | benzodioxoles | ||
| 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide | imidazoles | ||
| N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide | pyrimidone; sulfonamide | ||
| 2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamide | aromatic amide; thiophenes | ||
| 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide | sulfonamide | ||
| 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | indoles | ||
| 6-methyl-3-(prop-2-enylthio)-5H-[1,2,4]triazino[5,6-b]indole | triazinoindole | ||
| 3-(3,5-dimethyl-1-pyrazolyl)-5-phenyl-1,2,4-triazine | 1,2,4-triazines | ||
| l-2-(carboxypropyl)glycine | |||
| mre 3008-f20 | MRE 3008-F20: InChIKey: CJRNHKSLHHWUAB-UHFFFAOYSA-N | ||
| 2-(2,3-dicarboxycyclopropyl)glycine | |||
| 2-methylthio-atp | 2-methylthio-ATP: purinergic receptors agonist; relaxes mammalian gut preparations; structure given in first source | ||
| 2r,4r-4-aminopyrrolidine-2,4-dicarboxylate | pyrrolidinedicarboxylic acid | ||
| 4-aminocrotonic acid | |||
| acipimox | acipimox: lipolysis inhibitor | pyrazinecarboxylic acid | |
| adp beta s | adenosine 5'-O-(2-thiodiphosphate): partial agonist toward platelet aggregation; see also record for 1-thiodiphosphate cpd | ||
| arachidonyl-2-chloroethylamide | arachidonyl-2-chloroethylamide: a potent and selective agonist of the neuronal cannabinoid receptor; structure in first source arachidonyl-2'-chloroethylamide : A fatty amide obtained by the formal condensation of arachidonic acid with 2-chloroethanamine. It is a potent agonist of the CB1 receptor (Ki = 1.4 nM) and also has a low affinity for the CB2 receptor (Ki = 3100 nM). | fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid | CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent |
| butaprost | |||
| istradefylline | oxopurine | ||
| upf 596 | UPF 596: structure in first source | ||
| osip 339391 | UCS15A: from Streptomyces; structure in first source | ||
| 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide | benzamides | ||
| denopamine | denopamine: structure given in first source | dimethoxybenzene | |
| desoximetasone | desoximetasone : Dexamethasone in which the hydroxy group at the 17alpha position is substituted by hydrogen. A synthetic corticosteroid with glucocorticoid activity, it is used as an anti-inflammatory and anti-pruritic in the treatment of various skin disorders, including skin allergies and psoriasis. Desoximetasone: A topical anti-inflammatory glucocorticoid used in DERMATOSES, skin allergies, PSORIASIS, etc. | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
| dexmedetomidine | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative | |
| esomeprazole magnesium | benzimidazoles; sulfoxide | ||
| olvanil | methoxybenzenes; phenols | ||
| sb 277011 | SB 277011: structure in first source | ||
| ly 344864 | LY 344864: has selective affinity for the 5-HT1F receptor; structure in first source | carbazoles | |
| pd 180970 | PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source | ||
| cp 481715 | quinoxaline-2-carboxylic acid (4-carbamoyl-1-(3-fluorobenzyl)-2,7-dihydroxy-7-methyloctyl)amide: a CCR1 antagonist and NSAID; structure in first source | ||
| n-acetyltyrosyl-valyl-alanyl-aspartyl aldehyde | |||
| benzyloxycarbonyl-phe-ala-fluormethylketone | cathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1). | ||
| preclamol | preclamol: centrally acting dopamine receptor agonist with selectivity for autoreceptors | ||
| irl 2500 | IRL 2500: Endothelin-B receptor antagonist; structure in first source | ||
| k 185 | |||
| l 745870 | 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first source | piperazines | |
| l 365260 | L 365260: a CCK-B antagonist; structure given in first source; potent & selective CCK-B & gastrin receptor ligand; L 365260 and L 365346 are (R)- and (S)-stereoisomers, respectively | benzodiazepine | |
| l 655,708 | |||
| 15-deoxy-delta(12,14)-prostaglandin j2 | 15-deoxy-Delta(12,14)-prostaglandin J2 : A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. 15-deoxy-delta(12,14)-prostaglandin J2: 15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions | prostaglandins J | electrophilic reagent; insulin-sensitizing drug; metabolite |
| l 759633 | L 759633: structure in first source | 1-benzopyran | |
| lacidipine | cinnamate ester; tert-butyl ester | ||
| dl-threo-beta-benzyloxyaspartate | |||
| ly 320135 | LY 320135: cannabinoid receptor antagonist; structure in first source | benzofurans | |
| ly-367385 | |||
| mdl 100907 | Serotonin 5-HT2 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes. | ||
| cytochalasin b | cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. Cytochalasin B: A cytotoxic member of the CYTOCHALASINS. | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
| nalbuphine | Nalbuphine: A narcotic used as a pain medication. It appears to be an agonist at KAPPA RECEPTORS and an antagonist or partial agonist at MU RECEPTORS. | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
| neurotensin | |||
| pd 128907 | 1-benzopyran | ||
| obelin | obelin: calcium-sensitive photoprotein obtained from the hydroid Obelia geniculata | ||
| cgp 77675 | CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source | ||
| pd 166285 | |||
| ry 80 | |||
| sb 200646a | |||
| sib 1893 | SIB 1893: a selective mGluR5 antagonist; structure in first source | ||
| sr 142948 | SR 142948: structurally similar to SR-48692 | N-acyl-amino acid | |
| sr 59230a | tetralins | ||
| psb 1115 | oxopurine | ||
| vinorelbine | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent | |
| (3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone | WIN 55212-2 : A organic heterotricyclic compound that is 5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole substituted at position 6 by a 1-naphthylcarbonyl group. | morpholines; naphthyl ketone; organic heterotricyclic compound; synthetic cannabinoid | analgesic; apoptosis inhibitor; neuroprotective agent |
| onapristone | onapristone: induces vaginal bleeding and luteal regression in monkeys; structure given in first source; progesterone antagonist | ||
| n-(1-methyl-2-phenylethyl)adenosine, (s)-isomer | |||
| cgp 71683 a | naphthalenes; sulfonic acid derivative | ||
| cl 316243 | disodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)-amino)propyl)-1,3-benzodioxole-2,3-dicarboxylate: structure given in first source | ||
| silodosin | silodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first source | indolecarboxamide | |
| kn 62 | KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II | piperazines | |
| su 6656 | SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase. | ||
| sb 258719 | |||
| sb 271046 | SB 271046: 5-HT(6) receptor antagonist; structure in first source | ||
| bilobetin | bilobetin: a phospholipase A2 antagonist | flavonoid oligomer | |
| bisdemethoxycurcumin | bisdemethoxycurcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. curcumin III: structure in first source | beta-diketone; diarylheptanoid; enone; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite |
| bornyl ferulate | bornyl ferulate: structure in first source | hydroxycinnamic acid | |
| broussonin a | broussonin A: has antiviral activity; isolated from Anemarrhena asphodeloides; structure in first source | ||
| cannabigerol | cannabigerol : A member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species. cannabigerol: RN given refers to (E)-isomer; structure given in first source | phytocannabinoid; resorcinols | anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite |
| centaureidin | centaureidin : A trihydroxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii and Athroisma proteiforme. centaureidin: structure given in first source; isolated from Tanacetum microphyllum, Brickellia veronicaefolia | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite |
| crenulatin coumarin | |||
| kaempferol 3-o-rhamnoside | afzelin : A glycosyloxyflavone that is kaempferol attached to an alpha-L-rhamnosyl residue at position 3 via a glycosidic linkage. kaempferol 3-O-rhamnoside: from apple (Malus domestica) leaves; structure in first source | glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | anti-inflammatory agent; antibacterial agent; plant metabolite |
| 3,5-dimethoxy-trans-stilbene | 3,5-dimethoxystilbene: structure in first source | stilbenoid | |
| linarin | linarin: flavone glycoside isolated from leaves of Linaria japonica MIQ | ||
| albaconol | albaconol: from the mushroom Albatrellus; structure in first source | ||
| ethyl caffeate | (E)-ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: structure in first source ethyl trans-caffeate : An ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol. | alkyl caffeate ester; ethyl ester; hydroxycinnamic acid | anti-inflammatory agent; antineoplastic agent; metabolite |
| eupatin | eupatin : A trimethoxyflavone that is quercetagetin methylated at positions 4', 6 and 7. | flavonols; trihydroxyflavone; trimethoxyflavone | |
| calycosin-7-o-beta-d-glucopyranoside | calycosin-7-O-beta-D-glucoside : A glycosyloxyisoflavone that is calycosin substituted by a beta-D-glucopyranosyl residue at position at 7 via a glycosidic linkage. calycosin-7-O-beta-D-glucoside: from Radix Astragali | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | |
| andrographolide | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite | |
| isocryptomerin | isocryptomerin: an antifungal agent isolated from Selaginella tamariscina; structure in first source | ||
| isoginkgetin | isoginkgetin : A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4'-methoxyflavone and the 3' position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9). isoginkgetin: Isolated from Ginkgo biloba; structure in first source | aromatic ether; biflavonoid | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite |
| icaritin | icaritin: structure in first source | ||
| icariin | flavonols; glycosyloxyflavone | antioxidant; bone density conservation agent; EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; phytoestrogen | |
| licochalcone a | licochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomer | chalcones | |
| ligustilide | ligustilide: found in Umbelliferae plants; RN given refers to cpd without isomeric designation; structure in first source | butenolide | metabolite |
| 4-methylesculetin | 4-methylesculetin: has antiinflammatory activity 6,7-dihydroxy-4-methylcoumarin : A hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp. | hydroxycoumarin | anti-inflammatory agent; antioxidant; hyaluronan synthesis inhibitor |
| methyl-p-coumarate | 4-coumaric acid methyl ester : A cinnamate ester that is the methyl ester of 4-coumaric acid. methyl-p-coumarate: structure in first source | 4-coumaric acid methyl ester | |
| 2-oleoylglycerol | 2-oleoylglycerol : A 2-monoglyceride where the acyl group is (9Z)-octadecenoyl. | 2-acylglycerol 18:1; monooleoylglycerol | |
| muromonab-cd3 | cudraflavone B : An extended flavonoid that consists of a pyranochromane skeleton that is 2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, a 2,4-dihydroxyphenyl group at position 8, a hydroxy group at position 5 and a prenyl group at position 7. Isolated from Morus alba and Morus species it exhibits anti-inflammatory activity. cudraflavone B: antiproliferative from Cudrania tricuspidata | extended flavonoid; pyranochromane; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
| nigakinone | nigakinone: an NSAID that may be useful in treating ulcerative colitis; structure in first source | beta-carbolines | |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one: isolated from the Chinese herb Scutellariae radix oroxylin A : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6. | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| osthenol | osthenol : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 8 has been replaced by a prenyl group. osthenol: structure in first source | hydroxycoumarin | antifungal agent; plant metabolite |
| 5,7-dihydroxy-4',6-dimethoxyflavone | 5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C. pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein. | dihydroxyflavone; dimethoxyflavone | plant metabolite |
| 5,4'-dihydroxy-3,6,7-trimethoxyflavone | 5,4'-dihydroxy-3,6,7-trimethoxyflavone: from Microliabum polymnioides; structure in first source | ||
| Piperanine | benzodioxoles | ||
| piperlonguminine | piperlonguminine: from Piper longum; structure in first source | benzodioxoles | |
| podocarpusflavone a | podocarpusflavone A: isolated from Podocarpus imbricatus | flavonoid oligomer | |
| tiliroside | tiliroside: isolated from seeds of Eremocarpus setigerus | cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | plant metabolite |
| tilianin | tilianin: from several medicinal plants including Agastache rugosa and Dracocephalum moldavia | ||
| 5,7,2'-trihydroxyflavone | 5,7,2'-trihydroxyflavone: has inhibitory effects on the EBV-EA activation & on mouse skin tumor promotion in an in vivo two-stage carcinogenesis test; from Scutellaria baicalensis; structure given in first source | flavones | |
| 3',4',7-trihydroxyflavone | 3',4',7-trihydroxyflavone: from the Sudanese medicinal plant Albizia zygia; structure in first source | flavones | |
| 1-(4-(6-bromobenzo(1,3)dioxol-5-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta(c)quinolin-8-yl)ethanone | 1-(4-(6-bromobenzo(1,3)dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinolin-8-yl)ethanone: G-1 was able to induce both c-fos expression and proliferation in the ERalpha-negative/GPR30-positive SKBR3 breast cancer cells, the requirement for ERalpha expression in GPR30/EGFR signaling may depend on the specific cellular context of different tumor types | agonist | |
| furazolidone | |||
| 1-Ethyl-9H-pyrido[3,4-b]indole | harmala alkaloid | ||
| fluvoxamine | fluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder. Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS. | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
| 3,5-dimethoxycinnamic acid | 3,5-dimethoxycinnamic acid: RN given refers to cpd without isomeric designation | ||
| casein kinase ii | Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression. | ||
| ly2066948 | LY2066948: a selective estrogen receptor modulator; structure in first source | ||
| spd-304 | SPD-304: structure in first source | ||
| arcyriaflavin a | arcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first source | indolocarbazole | |
| pd 089828 | PD 089828: structure in first source | ||
| pd 166866 | PD 166866: structure in first source PD-166866 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM. | biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| pd 161570 | PD 161570: structure in first source | ||
| erbstatin | erbstatin: from actinomycetes; an inhibitor of EGF-receptor kinase & other protein-tyrosine kinases; structure in first source | ||
| pd-173952 | |||
| AG-370 | indoles | ||
| ag 538 | AG 538: an IGF-1 receptor kinase inhibitor; structure in first source | ||
| ag 99 | tyrphostin A46: epidermal growth factor-urogastrone receptor antagonist | ||
| tyrphostin ag 555 | |||
| tyrphostin ag-494 | AG 494: tyrphostin that blocks Cdk2 activation; structure in first source | ||
| tyrphostin b44 | tyrphostin B44: inhibits protein kinases; an analog of tyrphostin B46; B44(+) is B50, and is the stereoisomer of B44(-) | ||
| ag 556 | AG 556: structure given in first source | ||
| ag-490 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor | |
| ag 127 | AG 127: structure given in first source | ||
| alpha-cyano-4-hydroxycinnamic acid | alpha-cyano-4-hydroxycinnamic acid : A monohydroxycinnamic acid that is 4-hydroxycinnamic acid in which the hydrogen alpha- to the carboxy group is replaced by a cyano group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of peptides and oligonucleotides. | monohydroxycinnamic acid; nitrile; phenols | MALDI matrix material |
| ag 30 | AG 30: structure given in first source; do not confuse with AG-30 antimicrobial peptide | ||
| ag 112 | |||
| ag 183 | AG 183: structure given in first source | ||
| bosutinib | 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first source | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
| cb676475 | CB676475: structure in first source | quinazolines | |
| semaxinib | semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group. | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
| orantinib | orantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. orantinib: an antiangiogenic agent | ||
| su 11248 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist | |
| su 11652 | SU 11652: a tyrosine kinase inhibitor; amino acid sequence in first source SU11652 : A member of the class of pyrrolecarboxamides obtained by formal condensation of the carboxy group of 5-[(Z)-(5-chloro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic acid with the primary amino group of N(1),N(1)-diethylethane-1,2-diamine. | olefinic compound; organochlorine compound; oxindoles; pyrrolecarboxamide; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor |
| palladia | |||
| su9518 | SU9518: potently and selectively inhibits the cellular PDGF receptor kinase and PDGF receptor-induced cell proliferation | ||
| n,n'-dimethyl-n,n'-bis(mercaptoacetyl)hydrazine | N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine: used to reduce disulfide bonds; structure in first source | ||
| 6-(4-methoxyphenyl)-3-(3-thiophenyl)pyrazolo[1,5-a]pyrimidine | pyrimidines | ||
| m475271 | AZM475271: a Src family kinase inhibitor | ||
| pd 0183812 | PD 0183812: inhibits CDK4 and CDK6; structure in first source | ||
| palbociclib | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | |
| d-64406 | D-64406: structure in first source | indolyl carboxylic acid | |
| jnj-7706621 | sulfonamide | ||
| 2'-hydroxy-4-methoxychalcone | |||
| tinopal cbs-x | Tinopal CBS-X: RN given refers to parent cpd | ||
| nifuroxazide | nifuroxazide: structure | benzoic acids | |
| 7-hydroxycoumarin-4-acetic acid | 7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source | ||
| mitoguazone | mitoguazone : A hydrazone obtained by formal condensation of the two carbonyl groups of methylglyoxal with the primary amino groups of two molecules of aminoguanidine. Mitoguazone: Antineoplastic agent effective against myelogenous leukemia in experimental animals. Also acts as an inhibitor of animal S-adenosylmethionine decarboxylase. | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
| bisantrene | |||
| fosbretabulin | stilbenoid | ||
| 4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranoside | glycoside; lignan | ||
| stilbamidine | stilbamidine: RN given refers to parent cpd | ||
| 5-hydroxy-3,3',4',7-tetramethoxyflavone | 5-hydroxy-3,3',4',7-tetramethoxyflavone : A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3',4' and 7. 5-hydroxy-3,7,3',4'-tetramethoxyflavone: from the rhizome of Kaempferia parviflora; inhibits monocyte adhesion and cellular reactive oxygen species production in human umbilical vein endothelial cells | 3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone | plant metabolite |
| romidepsin | depsipeptide : A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating. | cyclodepsipeptide; heterocyclic antibiotic; organic disulfide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
| afimoxifene | |||
| sulindac sulfide | sulindac sulfide : An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. sulindac sulfide: sulfated analog of indomethacin & inhibitor of prostaglandin synthesis in vitro; RN given refers to cpd without isomeric designation; structure given in first source | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
| 6,7-dihydroxyflavone | 6,7-dihydroxyflavone: intensifies effect of antibiotics on Staphylococcus aureus; structure in first source | ||
| 8-(3-chlorostyryl)caffeine | 8-(3-chlorostyryl)caffeine : Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group. 8-(3-chlorostyryl)caffeine: adenosine antagonist | monochlorobenzenes; trimethylxanthine | adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor |
| 4-amylcinnamoylanthranilic acid | 4-amylcinnamoylanthranilic acid: phospholipase A2 inhibitor N-(p-amylcinnamoyl)anthranilic acid : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 4-pentylcinnamoyl group. It is a transient receptor potential (TRP) channel blocker and phospholipase A2 (PLA2) inhibitor. | amidobenzoic acid; cinnamamides; secondary carboxamide | EC 3.1.1.4 (phospholipase A2) inhibitor; TRP channel blocker |
| bay 11-7082 | (E)-3-tosylacrylonitrile : A nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells. | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
| bay 11-7085 | BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB. | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
| farnesylthioacetic acid | farnesylthioacetic acid: a competitive inhibitor of isoprenylated protein methyltransferase; structure in first source | ||
| (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A dihydroxy monocarboxylic acid that is N-isopropylindole which is substituted at position 3 by a p-fluorophenyl group and at position 2 by a 6-carboxy-3,5-dihydroxyhex-1-en-1-yl group. It has four possible diastereoisomers. | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
| oxiconazole | oxiconazole : An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections. oxiconazole: RN given refers to parent cpd(Z)-isomer; structure given in first source | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
| rg 13022 | RG 13022: structure given in first source | ||
| 2,4,3',5'-tetramethoxystilbene | 2,4,3',5'-tetramethoxystilbene: potent inhibitor of human cytochrome P450 1B1; an antihypertensive agent; structure in first source | ||
| methyl-3-methoxy-4-hydroxystyryl ketone | methyl-3-methoxy-4-hydroxystyryl ketone: structure given in first source; RN given refers to cpd without isomeric designation | hydroxycinnamic acid | |
| 5,7-dihydroxy-4-methylcoumarin | hydroxycoumarin | ||
| prosultiamine | |||
| flavokawain a | flavokawain A: from kava extract, induces apoptosis in bladder cancer cells; structure in first source | chalcones | |
| cinnamoylhydroxamic acid | cinnamoylhydroxamic acid: RN given refers to parent cpd | ||
| mevinphos | Mevinphos: An organophosphate cholinesterase inhibitor that is used as an insecticide. | ||
| Isoliquiritigenin 4,4'-dimethyl ether | chalcones | ||
| 4-amino-6,7-diphenyl-3H-pteridine-2-thione | pteridines | ||
| furanoheliangolide | furanoheliangolide: structure in first source | ||
| bromebric acid | bromebric acid: major descriptor (74-86); on line search ACRYLATES (74-86); INDEX MEDICUS search BROMEBRIC ACID (74-86); RN given refers to parent cpd | carbonyl compound | |
| nomifensine maleate | |||
| levorphanol | Levorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection. | morphinane alkaloid | |
| naltrexone | naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence. Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence. | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
| dextromethorphan | dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough. Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity. | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
| dextrorphan | Dextrorphan: Dextro form of levorphanol. It acts as a noncompetitive NMDA receptor antagonist, among other effects, and has been proposed as a neuroprotective agent. It is also a metabolite of DEXTROMETHORPHAN. | morphinane alkaloid | |
| methylnaltrexone | methylnaltrexone: RN given refers to parent cpd(5alpha)-isomer | phenanthrenes | |
| lotensin | hydrochloride | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | |
| batimastat | batimastat : A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor. batimastat: structure given in first source; a synthetic matrix metalloproteinase inhibitor | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
| indinavir sulfate | Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability. | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
| 2-pentenal | (E)-2-pentenal : A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. 2-pentenal : An enal consisting of pent-2-ene having an oxo group at the 1-position 2-pentenal: RN given refers to cpd without isomeric designation | 2-pentenal | plant metabolite |
| alloocimene | (4E,6E)-2,6-dimethylocta-2,4,6-triene : An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer). alloocimene: representative of carotenoid polyenes; RN given refers to cpd without isomeric designation | ocimene | semiochemical |
| kavain | racemate | glycine receptor antagonist | |
| 2-Phenylethyl 3-phenyl-2-propenoate | cinnamate ester | ||
| grifolin | grifolin: antibiotic isolated from Grifola confluens | sesquiterpenoid | |
| dehydrodiconiferyl alcohol | dehydrodiconiferyl alcohol : A guaiacyl lignin obtained by cyclodimerisation of coniferol. dehydrodiconiferyl alcohol: structure given in first source | 1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol | anti-inflammatory agent; plant metabolite |
| isoalloxazine | isoalloxazine: structure | benzo[g]pteridine-2,4-dione | |
| 1-hydroxyxanthone | 1-hydroxyxanthone: structure in first source | ||
| 2-(4-(dimethylamino)styryl)benzothiazole | 2-(4-(dimethylamino)styryl)benzothiazole: structure in first source | ||
| urolithin b | urolithin B: has antiproliferative activity; structure in first source | coumarins | |
| 5,7,3'-trihydroxy-3,4'-dimethoxyflavone | 5,7,3'-trihydroxy-3,4'-dimethoxyflavone: induced cell death in human leukemia cells is dependent on caspases and activates the MAPK pathway; structure in first source quercetin 3,4'-dimethyl ether : A dimethoxyflavone that is the 3,4'-dimethyl ether derivative of quercetin. Isolated from Combretum quadrangulare, it exhibits antineoplastic activity. | dimethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
| 4,3',5'-tri-o-methylpiceatannol | |||
| 3,3',4,5'-tetramethoxy-trans-stilbene | (E)-3,4,3',5'-tetramethoxystilbene: from the leaves of Eugenia rigida; structure in first source | ||
| 3,4',5-trimethoxystilbene | 3,4',5-trimethoxystilbene: structure in first source | ||
| 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene | |||
| bedaquiline | bedaquiline : A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria. bedaquiline: a diarylquinoline Antitubercular Agent | aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound | antitubercular agent; ATP synthase inhibitor |
| enalapril | enalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration). Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE. | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
| vinblastine sulfate | |||
| 3,7-dihydroxyflavone | 3,7-dihydroxyflavone: structure in first source 7-hydroxyflavonol : Any flavonol carrying a 7-hydroxy substituent. | hydroxyflavan | |
| 3-cyano-7-hydroxycoumarin | 3-cyano-7-hydroxycoumarin: structure given in first source | ||
| 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | isoflavones | ||
| 3-(dimethylamino)-1-phenylprop-2-en-1-one | carbonyl compound | ||
| serratin | serratin: isolated from the essential oil of Clerodendron serratum; structure in first source | neoflavonoid | |
| parthenolide | |||
| nitrofurazone | nitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections. Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS. | ||
| (2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid | peptide | ||
| catharanthine | alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | ||
| n-(p-coumaroyl)serotonin | N-(p-coumaroyl)serotonin: structure in first source | carboxamide; hydroxyindoles | |
| ternatin (flavonoid) | ternatin (flavonoid): from Sceptridium ternatum; also isolated from Egletes viscosa; structure in first source | ether; flavonoids | |
| aztreonam | |||
| cisplatin | diamminedichloroplatinum | antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent | |
| bleomycin | bleomycin | antineoplastic agent; metabolite | |
| crotonic acid betaine | crotonic acid betaine: RN given refers to inner salt without isomeric designation | 4-(trimethylammonio)but-2-enoate | |
| heroin | heroin : A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. Heroin: A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed) | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
| dextromethorphan hydrobromide | dextromethorphan hydrobromide : The hydrobromide and monohydrate of the antitussive drug dextromethorphan. | hydrate; hydrobromide | |
| indinavir sulfate | azaheterocycle sulfate salt | ||
| enalaprilat anhydrous | enalaprilat (anhydrous) : Enalapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid. Enalaprilat is an angiotensin-converting enzyme (ACE) inhibitor and is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is given by intravenous injection, usually as the dihydrate. enalaprilat dihydrate : The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection. Enalaprilat: The active metabolite of ENALAPRIL and one of the potent, intravenously administered, ANGIOTENSIN-CONVERTING ENZYME INHIBITORS. It is an effective agent for the treatment of essential hypertension and has beneficial hemodynamic effects in heart failure. The drug produces renal vasodilation with an increase in sodium excretion. | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| beta-aminopropionitrile fumarate (2:1) | beta-aminopropionitrile hemifumarate : A fumarate salt prepared from beta-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of beta-aminopropionitrile. | fumarate salt | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
| quinaldine blue | quinaldine blue: RN given refers to chloride; structure | cyanine dye; organic iodide salt | fluorochrome |
| beta-rubromycin | beta-rubromycin: structure given in first source | ||
| gamma-mangostin | gamma-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3, 6 and 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antitumour activity. | phenols; xanthones | antineoplastic agent; plant metabolite; protein kinase inhibitor |
| 4'-chloroaurone | 4'-chloroaurone: aurones from marine brown alga Spatoglossum variabile; structure in first source | ||
| ubistatin a | ubistatin A: inhibits cyclin B proteolysis and degradation of ubiquitinated Sic1; structure in first source | ||
| s-trans,trans-farnesylthiosalicylic acid | farnesylthiosalicylic acid: structure in first source | sesquiterpenoid | |
| kendomycin | kendomycin: structure in first source | benzofurans | |
| sulindac sulfone | sulindac sulfone : A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor. sulindac sulfone: inhibits K-ras-dependent cyclooxygenase-2; sulfated analog of indomethacin;; CP248 is an antineoplastic agent that fosters microtubule depolymerization; structure in first source | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| cinanserin | cinanserin : An aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication. Cinanserin: A serotonin antagonist with limited antihistaminic, anticholinergic, and immunosuppressive activity. | aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound | anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| mbx 1090 | |||
| pepstatin | pepstatin: inhibits the aspartic protease endothiapepsin | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
| ceftriaxone | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor | |
| ancriviroc | Ancriviroc: CCR5 receptor antagonist | aromatic carboxylic acid; pyridinemonocarboxylic acid | |
| norbinaltorphimine | norbinaltorphimine: kappa opiate receptor antagonist; structure given in first source | isoquinolines | |
| morusinol | morusinol: extracted from Morus alba inhibits arterial thrombosis and modulates platelet activation for the treatment of cardiovascular disease; structure in first source | flavones | |
| Norartocarpetin | flavones | ||
| sequoiaflavone | sequoiaflavone: Isolated from Ginkgo biloba; structure in first source | ||
| 3-methoxymorphinan | |||
| penicillin v | 1,1'-diethyl-2,2'-cyanine; quinolines | ||
| ici 118551 | ICI 118551 : An indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer). ICI 118551: RN given refers to (R*,R*)-(+-)-isomer; structure in first source; ICI 111581 is hydrochloride of ICI 118551 | aromatic ether; indanes; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
| licostinel | licostinel: a glycine site NMDA receptor antagonist; structure given in first source | ||
| lofepramine hydrochloride | |||
| capuramycin | capuramycin: from Streptomyces griseus 446-S3; structure given in first source | ||
| tiotropium bromide | tiotropium bromide : An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. Tiotropium Bromide: A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE. | ||
| tiotropium | tiotropium : A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. | ||
| phenylalanylalanine | Phe-Ala : A dipeptide formed from L-phenylalanine and L-alanine residues. phenylalanylalanine: RN given refers to (L)-isomer | dipeptide; dipeptide zwitterion | metabolite |
| acetylalanylalanine | acetylalanylalanine: RN given refers to (D)-isomer | ||
| alvimopan anhydrous | alvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for pain | peptide | |
| baohuoside i | baohuoside I: structure given in first source; isolated from the herb Epimedium davidii | glycosyloxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite |
| ildamen | |||
| noroxycodone | noroxycodone: RN given for (5alpha)-isomer; metabolite of oxycodone | phenanthrenes | |
| w-13 | |||
| alpha-aspartylalanine | alpha-aspartylalanine: found in pig brain Asp-Ala : A dipeptide formed from L-alpha-aspartyl and L-valine residues. | dipeptide | metabolite |
| 2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one | 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively. 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor | organic heterotetracyclic compound; organofluorine compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| vx680 | N-arylpiperazine | ||
| bms 806 | BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002 | ||
| beta-Mangostin | xanthones | ||
| 9-Hydroxycalabaxanthone | xanthones | ||
| alanyltyrosine | Tyr-Ala : A dipeptide formed from L-tyrosine and L-alanine residues. | dipeptide | metabolite |
| n'-((1e)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide | N'-((1E)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide: structure in first source | ||
| benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | |||
| nqdi 1 | |||
| guanabenz acetate | dichlorobenzene | geroprotector | |
| guanabenz | Guanabenz: An alpha-2 selective adrenergic agonist used as an antihypertensive agent. | dichlorobenzene | |
| nylidrin hydrochloride | alkylbenzene | ||
| phentolamine | |||
| famotidine | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor | |
| fendiline hydrochloride | |||
| bromhexine hydrochloride | bromhexine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of bromhexine and hydrogen chloride. It is used as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum). | hydrochloride | mucolytic |
| mephentermine sulfate | |||
| methylbenzethonium chloride | alkylbenzene | ||
| quipazine maleate | |||
| quinaldine red | quinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure | ||
| 2',3,4-trihydroxychalcone | 2',3,4-trihydroxychalcone: structure given in first source | catechols; chalcones | |
| Crotaoprostrin | chalcones | ||
| 3,3'-diethylthiacarbocyanine iodide | benzothiazoles; cyanine dye | fluorochrome | |
| virodhamine | virodhamine: arachidonic acid and ethanolamine joined by an ester linkage, like anandamide with oxygen and nitrogen reversed; an endocannabinoid from rat; structure in first source | fatty acid ester | |
| HTS 01037 | ring assembly; thiophenes | ||
| 4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one | pyridazines; ring assembly | ||
| chloride of pseudoisocyanine | 1,1'-diethyl-2,2'-cyanine halide; organic chloride salt | ||
| 5233705 compound | |||
| cefotaxime | cefotaxime : A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. Cefotaxime: Semisynthetic broad-spectrum cephalosporin. | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
| 3,4-dihydroxy-xanthone | 3,4-dihydroxy-xanthone: structure given in first source | ||
| 10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one | pyridochromene | ||
| 3',4'-dihydroxyaurone | 3',4'-dihydroxyaurone : A hydroxyaurone that is aurone which is substituted by hydroxy groups at the 3' and 4' positions; major species at pH 7.3. It shows inhibitory activity against several isoforms of the histone deacetylase complex (HDAC). | catechols; hydroxyaurone | EC 3.5.1.98 (histone deacetylase) inhibitor |
| 3,8-dibromo-7-hydroxy-4-methylchromen-2-one | 3,8-dibromo-7-hydroxy-4-methylchromen-2-one: structure in first source | hydroxycoumarin | |
| derrubone | derrubone: an inhibitor of the Hsp90 protein folding machinery from Derris robusta; structure in first source | isoflavanones | |
| 4-hydroxylonchocarpin | 4-hydroxylonchocarpin: structure in first source | ||
| nifuratrone | nifuratrone: structure | ||
| geiparvarin | geiparvarin: from Geijera parviflora; structure given in first source | ||
| benzyl caffeate | benzyl caffeate: isolated from Liaoxi propolis | ||
| gw-5074 | |||
| 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2 | naphthalenes | |
| st 638 | |||
| su 1498 | SU 1498: structure in first source SU1498 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine. | enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide | vascular endothelial growth factor receptor antagonist |
| su 4984 | |||
| derricidin | derricidin: from Lonchocarpus sericeus; structure in first source | chalcones | |
| 2-chloro-4',6'-dimethoxy-2'-hydroxychalcone | 2-chloro-4',6'-dimethoxy-2'-hydroxychalcone: induces glutathione biosynthesis; structure in first source | ||
| piriqualone | piriqualone: structure | ||
| rubrolide a | rubrolide A: from Synoicum prunum; structure in first source | ||
| metochalcone | metochalcone: structure | ||
| tyrphostin ag825 | tyrphostin AG 825 : An organic sulfide that consists of 1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an epidermal growth factor receptor antagonist. tyrphostin AG825: a tyrphostin of the benzylidene malononitrile family; an erbB2 antagonist | aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide | epidermal growth factor receptor antagonist |
| nf023 | |||
| nf 449 | |||
| 5-(2-methylphenyl)-N-(phenylmethyl)-2-furancarboxamide | aromatic amide; heteroarene | ||
| (R)-citalopram | (R)-citalopram : A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram. | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | |
| way 202196 | 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile: structure in first source | ||
| kresoxim-methyl | kresoxim-methyl : A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops. kresoxim-methyl: strobilurin analogue; an industrial fungicide | aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic |
| 8-hydroxy-2-(n-n-propyl-n-(3'-iodo-2'-propenyl)amino)tetralin | 8-hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin: a 5-HT(1A) receptor ligand; structure given in first source | ||
| gr 46611 | GR 46611: known to lower body temperature in guinea pigs | ||
| alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile | nitrile | ||
| proguanil | proguanil : A biguanide compound which has isopropyl and p-chlorophenyl substituents on the terminal N atoms. A prophylactic antimalarial drug, it works by inhibiting the enzyme dihydrofolate reductase, which is involved in the reproduction of the malaria parasites Plasmodium falciparum and P. vivax within the red blood cells. Proguanil: A biguanide compound which metabolizes in the body to form cycloguanil, an anti-malaria agent. | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| nitrovin | Nitrovin: An antibacterial growth promoter used in animal feeds. | C-nitro compound; furans | |
| flavokawain C | flavokawain C: antineoplastic from roots of Kava (Piper methysticum Forst); structure in first source | chalcones | |
| 7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin | 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol : A tertiary amino compound that consists of 2-amino-7-hydroxytetralin in which the two amino hydrogens are substituted by 2E)-3-iodoallyl and propyl groups. This ligand has uniquely high affinity and selectivity for the D3 receptor. 7-hydroxy-2-(N-n-propyl-N-(3-iodo-2'-propenyl)-amino)tetralin: D3 dopamine receptor ligand; structure given in first source | organoiodine compound; phenols; tertiary amino compound; tetralins | dopamine agonist |
| oroidin | oroidin: from marine sponges of the genus Agelas; structure in first source | pyrroles; secondary carboxamide | metabolite |
| 22,23-dihydroavermectin b(1)a | 22,23-dihydroavermectin B(1)a: C48H74O14; major component of IVERMECTIN; MW 875.093; structure given in first source 22,23-dihydroavermectin B1a : A macrocyclic lactone that is avermectin B1a in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the major component of ivermectin. | macrocyclic lactone; spiroketal | |
| monorden | monorden: inhibits HSP90 Heat-Shock Proteins, DNA topoisomerase VI and human Topoisomerase II | cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols | antifungal agent; metabolite; tyrosine kinase inhibitor |
| iodoresiniferatoxin | iodoresiniferatoxin: a vanilloid receptor 1 antagonist | ||
| rifamycin sv | rifamycin SV : A member of the class of rifamycins that exhibits antibiotic and antitubercular properties. rifamycin SV: RN given refers to parent cpd; structure in Merck Index, 9th ed, #8009 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins | antimicrobial agent; antitubercular agent; bacterial metabolite |
| triphenyltin hydroxide | fentin hydroxide : An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a hydroxy group. A fungicide used to control a variety of infections including blight on potatoes, leaf spot on sugar beet and alternaria blight on carrots. | ||
| bismuth oxychloride | bismuth oxychloride: active against rotaviruses and enteric viruses | ||
| diacetyldiphenylurea bisguanylhydrazone | diacetyldiphenylurea bisguanylhydrazone: antineoplastic agent particularly effective as an antileukemic agent; has been shown to be active against leukemia L1210 in mice; minor descriptor (75-86); on-line & INDEX MEDICUS search CARBANILIDES (75-86); RN given refers to parent cpd | ||
| clovoxamine | 5-methoxyvalerophenone O-(2-aminoethyl)oxime; monochlorobenzenes | antidepressant | |
| palonosetron | palonosetron : An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. Palonosetron: Isoquinoline and quinuclidine derivative that acts as a 5-HT3 RECEPTOR antagonist. It is used in the prevention of nausea and vomiting induced by cytotoxic chemotherapy, and for the prevention of post-operative nausea and vomiting. | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
| epoprostenol sodium | prostanoid | ||
| agn 191659 | AGN 191659: a retinoid x receptor pan-agonist; structure in first source | ||
| 2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide | 2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source | ||
| psammaplin a | psammaplin A: isolated from marine sponges Poecillastra and Jaspis; structure in second source | ||
| 1-(3,4-dimethylphenyl)-4-(4-methyl-1-piperidinyl)phthalazine | pyridazines; ring assembly | ||
| 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone | aromatic ketone | ||
| 5-methoxy-3,6-diphenyl-1,2,4-triazine | aromatic ether | ||
| d 4476 | imidazoles | ||
| GSK3-XIII | GSK3-XIII : A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups. | aromatic amine; pyrazoles; quinazolines; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
| (-)-catechin-3-O-gallate | (-)-catechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. | flavans; gallate ester; polyphenol | metabolite |
| sinequan | dibenzooxazepine | ||
| Adenosine 5'-monophosphate monohydrate | purine ribonucleoside monophosphate | ||
| enclomiphene citrate | |||
| cyc 116 | 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | ||
| ubp 310 | UBP 310: a GluR5 antagonist; structure in first source | ||
| ubp 302 | |||
| ciproxifan | aromatic ketone | ||
| pyrachlostrobin | pyraclostrobin : A carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres. | aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic |
| prolylglycine | L-prolylglycine : A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen. prolylglycine: RN given refers to (L)-isomer | dipeptide; dipeptide zwitterion | |
| 1-(3-(5-(1,2,4-triazol-4-yl)-1h-indol-3-yl)propyl)-4-(2-(3-fluorophenyl)ethyl)piperazine | 1-(3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl)-4-(2-(3-fluorophenyl)ethyl)piperazine: an h5-HT(1D) receptor agonist; structure in first source | ||
| lasalocid sodium | lasalocid sodium : The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry. | benzoates; organic sodium salt | coccidiostat; ionophore |
| diphenoxylate hydrochloride | diphenoxylate hydrochloride : The hydrochloride salt of diphenoxylate. | hydrochloride | antidiarrhoeal drug |
| eniporide | eniporide: inhibits NHE-1 isoform; structure in first source | ||
| era-923 | 2-(4-hydroxyphenyl)-3-methyl-1-(4-(2-piperidin-1-yl-ethoxy)-benzyl)-1H-indol-5-ol: structure in first source | ||
| zoniporide | zoniporide: inhibits sodium-hydrogen exchanger isoform-1 (NHE-1) | ||
| mg 624 | triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source | ||
| avermectin b(1)a | avermectin B(1)a: RN given refers to avermectin B(1)a; see also avermectins & demethylavermectins | avermectin | |
| flupirtine | |||
| cilastatin | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic | |
| sclerotiorin | sclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first source | azaphilone | |
| 13-cis-retinal | 13-cis-retinal : A retinal in which the double bond alpha- to the aldehyde group has cis configuration, whilst the remaining acyclic double bonds have trans configuration. | retinal | human metabolite |
| cinalukast | cinalukast : 2,2-Diethylsuccinanilic acid substituted at a meta- position by an (E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl group. It selectively antagonizes leukotriene D4 at the cysteinyl leukotriene receptor, in the human airway, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. It is used in the treatment of asthma. cinalukast: structure given in first source; orally active LTD4 antagonist; an anti-asthmatic agent | 1,3-thiazoles; carboxylic acid | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
| nitrocefin | nitrocefin: chromogenic cephalosporin used for detection of beta-lactamase activity; Cefinase is name for nitrocefin on paper disc; RN given refers to (6R-(3(E),6 alpha,7 beta))-isomer; structure for mono-Na salt in second source | ||
| columbianadin | columbianadin : An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. columbianadin: furanocoumarin isolated from Peucedanum palustre; RN given refers to columbianadin, (S-(Z))-isomer | alpha,beta-unsaturated carboxylic ester; furanocoumarin | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite |
| aminoethoxyvinylglycine | aminoethoxyvinylglycine: RN given for (S-(E))-isomer | ||
| triticonazole | triticonazole : A racemate comprising equal amounts of (R)- and (S)-triticonazole. A seed treatment fungicide for the control of common bunt, loose smut and covered smut on barley, oats and wheat. triticonazole: a fungicide triticonazole | ||
| rehmannic acid | rehmannic acid: toxic principle, triterpene acid from Lantana camara; RN given refers to (22beta-(Z))-isomer; structure | ||
| diniconazole | (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol : A member of the class of triazoles that is 4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol substituted at position 1 by a 2,4-dichlorophenyl group. diniconazole : A racemate comprising equimolar amounts of (R)- and (S)-diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts. diniconazole: structure given in first source | dichlorobenzene; olefinic compound; secondary alcohol; triazoles | |
| salannin | salannin : A limonoid with insecticidal activity isolated from Azadirachta indica. salannin: from seeds of neem tree, Azadirachta indica; inhibits 20-monooxygenase; structure given in first source | acetate ester; furans; limonoid; methyl ester; organic heteropentacyclic compound | antifeedant; insect growth regulator; plant metabolite |
| lumefantrine | lumefantrine : A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria. Lumefantrine: A fluorene derivative that is used in combination with ARTEMETHER for the treatment of MALARIA (see ARTEMETHER-LUMEFANTRINE DRUG COMBINATION). | fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine | antimalarial |
| piericidin a | piericidin A : A member of the class of monohydroxypyridines that acts as an irreversible mitochondrial Complex I inhibitor that strongly associates with ubiquinone binding sites in both mitochondrial and bacterial forms of NADH:ubiquinone oxidoreductase piericidin A: pyridine-substituted fatty alcohol antibiotic; minor descriptor (75-85); on-line & Index Medicus search ANTIBIOTICS (75-85); RN given refers to (S-(R*,R*-(all-E)))-isomer | aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol | antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor |
| bm 15766 | BM 15766: 7-dehydrocholesterol reductase antagonist | ||
| mofegiline | |||
| 3-o-methylbutein | 3-O-methylbutein: RN given refers to (E)-isomer; structure given in first source | chalcones | |
| agn 191701 | AGN 191701: retinoid X receptors agonist; RN refers to (E)-isomer; structure given in first source | ||
| bwa 4c | |||
| cryptophycin 1 | |||
| chaetoglobosin A | cytochalasan alkaloid; epoxide; indoles; macrocycle; secondary alpha-hydroxy ketone | Chaetomium metabolite | |
| 4-hydroxyderricin | 4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first source | chalcones | |
| trichostatin c | trichostatin C: glycosylated trichostatin A; structure given in first source; do not confuse with TRICHOSANTHIN | O-amino sugar; trichostatin | |
| broussochalcone a | broussochalcone A: RN given for (E)-isomer; inhibits neutrophil respiratory burst; structure in first source | ||
| pironetin | pironetin: a microbial secondary metabolite having the activity of shortening plant height from Streptomyces sp.; structure in first source | aliphatic alcohol | |
| 4-o-carboxymethylascochlorin | 4-O-carboxymethylascochlorin: RN given refers to (1R-(1alpha(2E,4E),2beta,6beta))-isomer | ||
| st 271 | |||
| bw a1433 | BW A1433: adenosine receptor antagonist | ||
| fk 453 | FK 453: adenosine A1 receptor antagonist; structure given in first source; a new antihypertensive agent with diuretic action in isolated rabbit aorta; FR113452 is the S-(-) enantiomer of FK 453 | ||
| 1,2-dihydroxy-4-(nitroethenyl)benzene | 1,2-dihydroxy-4-(nitroethenyl)benzene: isolated from Streptomyces lavendulae | ||
| o-geranylsinapyl alcohol | O-geranylsinapyl alcohol: structure given in first source; isolated from the bark of Fagara rhetza, an Indonesian medicinal plant | ||
| pregna-4,17-diene-3,16-dione | pregna-4,17-diene-3,16-dione: steroid from guggulu extract; RN & N1 from C1 Form index; RN given refers to cpd without isomeric designation; structure in first source; antagonist of farnesoid X receptor | 3-hydroxy steroid | androgen |
| rupintrivir | rupintrivir: a rhinovirus 3C protease inhibitor | ||
| caftaric acid | hydroxycinnamic acid | ||
| amorphastilbol | amorphastilbol: dual PPARalpha/gamma agonist from Amorpha species | ||
| goniothalamin | goniothalamin: has antineoplastic activity; structure given in first source | ||
| valerenic acid | valerenic acid : A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant. valerenic acid: a saturated oplopanone type indene from Valeriana officinalis | carbobicyclic compound; monocarboxylic acid; sesquiterpenoid | GABA modulator; plant metabolite; sedative; volatile oil component |
| marein | marein: hypoglycemic from Coreopsis tinctoria; structure in first source | flavonoids; glycoside | |
| coniferyl ferulate | coniferyl ferulate: found in the rhizome of Cnidium officinale Makino; structure given in first source; RN given refers to cpd without isomeric designation | ||
| everolimus | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor | |
| lg100754 | LG 100754: retinoic acid receptors antagonist & agonist; a mixed function retinoid whose activity is dimer-selective; structure given in first source | ||
| guineensine | guineensine: an Acyl-CoA: cholesterol acyltransferase inhibitor, from the fruits of Piper longum; structure in first sourc | benzodioxoles | |
| bifenthrin | bifenthrin : A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol. bifenthrin: a type I pyrethroid kappa-bifenthrin : A carboxylic ester obtained by formal condensation of the carboxy group of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of [(2-methyl-1,1'-biphenyl)-3-yl]methanol. | carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide |
| (2E,4E)-N-isobutyl-2,4-dodecadienamide | fatty amide | metabolite | |
| jl 13 compound | JL 13 compound: structure given in first source | ||
| perflubron | demethylxanthohumol: an apoptosis-inducing agent from hops; structure in first source desmethylxanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2', 4', and 6' and a 3-methylbut-2-en-1-yl group at position 3'. | 2-acyl-4-prenylphloroglucinol; chalcones | plant metabolite |
| mkt 077 | MKT 077: structure given in first source | ||
| trk 820 | TRK 820: structure in first source | phenanthrenes | |
| laq824 | LAQ824: Histone deacetylase inhibitor | ||
| 4-oxo-2-nonenal | (E)-4-oxonon-2-enal : The enal that is (E)-non-2-enal substituted with an oxo group at C-4. 4-oxo-2-nonenal: reacts with 2'-deoxyguanosine; a product of lipid peroxidation; structure in first source | enal; enone | human metabolite |
| ixabepilone | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent | |
| ekb 569 | EKB 569: an EGF receptor kinase inhibitor | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
| kf 17837 | |||
| arvanil | arvanil: structure in first source | methoxybenzenes; phenols | |
| pregna-4,17-diene-3,16-dione, (17z)-isomer | |||
| axitinib | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | |
| su 4312 | SU4312 : A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity. | ||
| salvianolic acid B | salvianolic acid B : A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza salvianolic acid B: isolated from Salvia miltiorrhiza | 1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite |
| cx 614 | 2H,3H,6aH-pyrrolidino(2'',1''-3',2')1,3-oxazino(6',5'-5,4)benzo(e)1, 4-dioxan-10-one: an ampakine (AMPA receptor modulator); structure in first source | ||
| rilpivirine | aminopyrimidine; nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor | |
| tracizoline | tracizoline: RN given for (R-(R*,R*))-2,3-dihydroxybutanedionate (1:1); ligand for imidazoline receptor; structure in first source | ||
| su 11248 | |||
| 1-(3-methoxyphenyl)-3-[2-(methylthio)phenyl]urea | ureas | ||
| 4,5-di-O-caffeoylquinic acid | quinic acid | ||
| indigo carmine | 3,5-di-O-(E)-caffeoylquinic acid: from roots of Lychnophora ericoides; structure in first source 3,5-di-O-caffeoyl quinic acid : A carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. | ||
| hylin | |||
| daurichromenic acid | daurichromenic acid: structure in first source | ||
| sophoraflavanone a | sophoraflavanone A : A trihydroxyflavanone that is (S)-naringenin substituted by a geranyl group at position 8. Isolated from Macaranga bicolor, it exhibits antibacterial and antineoplastic activities. sophoraflavanone A: structure in first source | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; antineoplastic agent; metabolite |
| methyl chlorogenate | methyl chlorogenate: from Eriobotrya japonica; structure in first source | quinic acid | |
| isoacteoside | isoacteoside: a phenylethanoid glycoside isolated from Indian paintbrush (Verbenaceae) Castilleja linariaefolia; also in other plants; structure given in first source | hydroxycinnamic acid | |
| desmosdumotin c | desmosdumotin C: an antitumor agent; structure in first source | olefinic compound | |
| scy-635 | |||
| Methyl rosmarinate | hydroxycinnamic acid | ||
| variecolin | variecolin: structure in first source | enal; sesterterpenoid | Aspergillus metabolite |
| opc-67683 | OPC-67683: an antitubercular agent | piperidines | |
| psi 6130 | 2'-deoxy-2'-fluoro-2'-C-methylcytidine: PSI-6130 is the (beta-D)-isomer; has antiviral activity against hepatitis C virus; structure in first source | ||
| noladin ether | 2-arachidonyl glyceryl ether : A monoalkylglycerol that is glycerol which is substituted by a (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl group at position 2. noladin ether: a cannabinoid CB1 receptor agonist; structure in first source | 2-alkylglycerol; endocannabinoid; monoalkylglycerol | |
| 2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxylic acid | quinolines | ||
| tanespimycin | CP 127374: analog of herbimycin A | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
| clovamide | clovamide: RN given for (Z)-isomer; structure in first source | tyrosine derivative | |
| manzamine a | manzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). manzamine A: RN given refers to (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92 | alkaloid; beta-carbolines; isoquinolines | animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite |
| gw 1929 | GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first source | benzophenones | |
| cefpodoxime proxetil | cefpodoxime proxetil : The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis. cefpodoxime proxetil: structure given in first source; prodrug for cefpodoxime | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
| a 419259 | |||
| gdp 366 | GDP 366: an antineoplastic agent; structure in first source | ||
| 1-methyl-d-lysergic acid butanolamide | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent | |
| norgestimate | ketoxime; steroid ester; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive | |
| borneol | borneol | ||
| nipecotic acid, (s)-isomer | (S)-nipecotic acid : The (S)-enantiomer of nipecotic acid. | nipecotic acid | |
| n(4)-chloroacetylcytosine arabinoside | |||
| a 77636 | (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol : An isochromene that is 3,4-dihydroisochromene-5,6-diol bearing additional aminomethyl and 1-adamantyl substituents at positions 1 and 3 respectively (the 1R,3S-diastereomer). Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo. A 77636: structure given in first source; a selective dopamine D1 receptor agonist | adamantanes; catechols; isochromenes; primary amino compound | antiparkinson drug; dopamine agonist |
| cgp 12177a | |||
| b 43 | RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively). | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
| dihydrexidine | phenanthridines | ||
| gw2974 | GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 | pyridopyrimidine | |
| 8-hydroxy-2-(di-n-propylamino)tetralin, (r)-isomer | tetralins | ||
| 7-hydroxy-2-n,n-dipropylaminotetralin, (r)-isomer | |||
| l 750667 | L 750667: structure given in first source | piperazines | |
| l 162313 | L 162313: a biphenylimidazole derivative; a non-peptide angiotensin agonist; no further information available 2/95 | ||
| l-165041 | 4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function. | aromatic ketone | |
| mrs 1754 | oxopurine | ||
| pd 404182 | |||
| sb 222200 | quinolines | ||
| dantrolene sodium | dantrolene sodium (anhydrous) : The anhydrous sodium salt of dantrolene. | ||
| cycloheximide | piperidones | ||
| nitrofurantoin | nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression. | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
| suloctidil | Suloctidil: A peripheral vasodilator that was formerly used in the management of peripheral and cerebral vascular disorders. It is hepatotoxic and fatalities have occurred. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312) | ||
| dibenzheptropine citrate | deptropine citrate : A citrate salt that is the dihydrogen citrate salt of deptropamine. | ||
| 1-amino-1,3-dicarboxycyclopentane, cis-(1s,3s)-isomer | |||
| uh 232 | tetralins | ||
| ici 215001 | ICI 215001: active metabolite of ICI D7114; no other info avail 9/92 | monocarboxylic acid | |
| am 404 | anilide | ||
| 6-cyano-4-(n-ethylsulfonyl-n-methylamino)-3-hydroxy-2,2-dimethylchromane, (trans-(+))-isomer | |||
| ro 25-6981 | Ro 25-6981 : A member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. Ro 25-6981: blocks NMDA receptors containg NR2B subunit; structure in first source | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
| sb 269970 | SB 269970: a 5-HT(7) antagonist; structure in first source | sulfonamide | |
| dinitrofluorobenzene | 3,3'-difluorobenzaldazine: a selective positive allosteric modulator of mGluR5 activity; structure in first source | ||
| omdm-2 cpd | OMDM-2 cpd: structure in first source | ||
| sb 334867-a | 1-(2-methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea: selective OX1 receptor antagonist | naphthyridine derivative | |
| aminopurvalanol a | aminopurvalanol A: casein kinase I alpha inhibitor; structure in first source | monochlorobenzenes; purvalanol | protein kinase inhibitor |
| bvt.948 | |||
| cgk 733 | diarylmethane | ||
| lactacystin | lactam; S-substituted L-cysteine | ||
| N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide | aromatic amide | ||
| 2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid | acridines | ||
| 8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide | dibenzothiazepine | ||
| 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester | benzothiazoles | ||
| 6-bromo-2-(1-pyrrolidinyl)-1,3-benzothiazole | benzothiazoles | ||
| N-(4-ethylphenyl)-3-(1-pyrrolyl)propanamide | anilide | ||
| (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-(4-oxo-1-benzopyran-3-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester | chromones | ||
| tubacin | tubacin: inhibits histone deacetylase 6; structure in first source | 1,3-oxazoles | |
| Retusin 7-Methyl Ether | methoxyisoflavone | ||
| cgp 53353 | 4,5-bis(4-fluoroanilino)phthalimide: structure in first source | phthalimides | |
| nifurtimox | Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS. | nitrofuran antibiotic | |
| ispinesib | benzamides | ||
| gsk5182 | GSK5182: an estrogen-related receptor gamma inverse agonist | ||
| sk&f-38393 | (R)-SKF 38393 : A 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the R-enantiomer of SKF 38393. | 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | |
| estradiol 17-acetate | steroid ester | ||
| acetyl isogambogic acid | acetyl isogambogic acid: structure in first source | ||
| 3-nitrobenzaldehyde isonicotinoylhydrazone | 3-nitrobenzaldehyde isonicotinoylhydrazone: structure in first source | ||
| dantrolene | |||
| ik 682 | IK 682: inhibits TNF-alpha converting enzyme; structure in first source | hydroxamic acid; pyrrolidin-2-ones; quinolines | |
| fk 866 | N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source | benzamides; N-acylpiperidine | |
| fumagillin | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor | |
| a 38503 | |||
| levomilnacipran | Levomilnacipran: The (1S,2R)-isomer of milnacipran that is used for the treatment of MAJOR DEPRESSIVE DISORDER. | acetamides | |
| dapiprazole hydrochloride | |||
| cv 1808 | 2-phenylaminoadenosine: has coronary & cardiohemodynamic effects | purine nucleoside | |
| stepholidine | stepholidine: protoberberine alkaloid isolated from opium; dual D1 receptor agonist and D2 receptor antagonist | ||
| bufogenin | bufogenin : A steroid lactone of Chan su (toad venom), a Chinese medicine obtained from the skin venom gland of toads. A specific Na/K-ATPase protein inhibitor, it is used as a cardiotonic and central nervous system (CNS) respiratory agent, an analgesic and anesthetic, and as a remedy for ulcers. bufogenin: respiratory stimulant; from toad; structure | epoxy steroid; steroid lactone | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| granisetron hydrochloride | aromatic amide; indazoles | ||
| dexniguldipine | niguldipine: structure given in first source; clinical modulator of multidrug resistance | diarylmethane | |
| cilansetron | cilansetron: structure given in first source; binds to 5-HT(3) receptors | ||
| ciclesonide | ciclesonide: nasal spray approved for seasonal and perennial allergic rhinitis | organic molecular entity | |
| edelfosine | (R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine. | 1-octadecyl-2-methylglycero-3-phosphocholine | |
| eaa-090 | EAA-090: a potent N-methyl-D-aspartate antagonist; structure in first source | dialkylarylamine; tertiary amino compound | |
| ru 58668 | RU 58668 : A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl group. RU 58668 is a pure anti-estrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM). RU 58668: a steroidal antiestrogen; induces a long-term regression of human mammary MCF-7 tumors implanted in nude mice; structure given in first source | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
| temsirolimus | macrolide lactam | ||
| dutasteride | dutasteride : An aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland. Dutasteride: A 5-ALPHA-REDUCTASE INHIBITOR that is reported to inhibit both type-1 and type2 isoforms of the enzyme and is used to treat BENIGN PROSTATIC HYPERPLASIA. | (trifluoromethyl)benzenes; aza-steroid; delta-lactam | antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
| rs 25259-197 | palonosetron hydrochloride : A hydrochloride obtained by combining palonosetron with one molar equivalent of hydrogen chloride; an antiemetic used in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. | hydrochloride | antiemetic; serotonergic antagonist |
| ganaxolone | ganaxolone: a selective, high-affinity, steroid modulator of the GABA(A) receptor; structure given in first source; RN given refers to (3alpha,5alpha)-isomer | corticosteroid hormone | |
| vilazodone | vilazodone : A 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder. | 1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile | antidepressant; serotonergic agonist; serotonin uptake inhibitor |
| (3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | oligopeptide | ||
| bay 12-9566 | Bay 12-9566: an angiogenesis inhibitor with matrix metalloproteinase inhibitory activity | biphenyls; organochlorine compound | |
| sarizotan | sarizotan: serotonin 5-HT1A agonist improves motor complications in rodent and primate parkinsonian models | ||
| pd 174494 | PD 174494: structure in first source | piperidines | |
| tekturna | fumarate salt | antihypertensive agent | |
| nps2143 | |||
| pd 184352 | 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source | aminobenzoic acid | |
| altenusin | altenusin : A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria and several other fungal species. altenusin: structure given in first source | aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol | antifungal agent; fungal metabolite |
| isavuconazole | isavuconazole : A 1,3-thiazole that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,5-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively. It is an antifungal drug used for the treatment of invasive aspergillosis and invasive mucormycosis. | 1,3-thiazoles; conazole antifungal drug; difluorobenzene; nitrile; tertiary alcohol; triazole antifungal drug | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor; orphan drug |
| lu 208075 | ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertension | diarylmethane | |
| ucb 35625 | UCB 35625: J-113863 is the (trans)-isomer; structure in first source | ||
| jwh-133 | 1,1-dimethylbutyl-1-deoxy-Delta(9)-THC: a CB2 receptor agonists; no further information available on 8/2001 JWH-133 : A dibenzopyran that is Delta(9)-tetrahydrocannabinol which is lacking the hydroxy group and in which the pentyl group at position 3 has been replaced by a 1,1-dimethylbutyl group. A potent and highly selective CB2 receptor agonist. | benzochromene; dibenzopyran; organic heterotricyclic compound | analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent |
| bibx 1382bs | BIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001 | substituted aniline | |
| 2-ethyl-5-methoxy-n,n-dimethyltryptamine | 2-ethyl-5-methoxy-N,N-dimethyltryptamine: a 5-HT(6) receptor agonist; structure in first source | ||
| 5-methoxy-2-phenyl-n,n-dimethyltryptamine | |||
| vildagliptin | amino acid amide | ||
| ms-245 | N,N-dimethyl-2-(1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl)ethylamine: a 5-HT(6) receptor ligand; structure in first source | ||
| lonaprisan | lonaprisan: structure in first source | ||
| n-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide | N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide: structure in first source | ||
| indacaterol | indacaterol : A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease. indacaterol: a beta2 adrenoceptor agonist; indacaterol is the (R)-isomer; structure in first source | indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent |
| talabostat | talabostat: an antineoplastic agent; structure in first source | ||
| mrk 016 | MRK 016: an inverse agonist of GABA(A) alpha5 receptors; structure in first source | ||
| 6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5h)-one | 6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5H)-one: a GABA-A alpha5 receptor inverse agonist; structure in first source | ||
| belinostat | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor | |
| adenosine diphosphate (hydroxymethyl)pyrrolidinediol | dihydroxypyrrolidine; purine ribonucleoside 5'-diphosphate | ||
| ith 4012 | |||
| pep005 | 3-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source | ||
| 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine | 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine: a 5-HT6 receptor antagonist; structure in first source | ||
| sk-7041 | SK-7041: an antineoplastic agent; structure in first source | ||
| on 01910 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group. ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
| panobinostat | panobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma. Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA. | cinnamamides; hydroxamic acid; methylindole; secondary amino compound | angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
| hdac-42 | HDAC-42: structure in first source | amidobenzoic acid | |
| 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide | benzamides | ||
| meso-1,2-diphenylethylenediamine | meso-1,2-diphenylethylenediamine: structure | ||
| glutamylalanine | Glu-Ala : A dipeptide formed from L-alpha-glutamyl and L-alanine residues. | dipeptide | metabolite |
| phenylalanylphenylalanine | Phe-Phe : A dipeptide formed from two L-phenylalanine residues. | dipeptide; L-aminoacyl-L-amino acid zwitterion | human blood serum metabolite; Mycoplasma genitalium metabolite |
| phenylalanyl-valine | Val-Phe : A dipeptide formed from L-valine and L-phenylalanine residues. | dipeptide | metabolite |
| alanylglycine | dipeptide; dipeptide zwitterion | metabolite | |
| valyltyrosine | Val-Tyr : A dipeptide formed from L-valine and L-tyrosine residues. valyltyrosine: from sardine muscle hydrolyzate | dipeptide | metabolite |
| alpha-glutamyltryptophan | Trp-Glu : A dipeptide formed from L-tryptophan and L-glutamic acid residues. | dipeptide | metabolite |
| phenylalanylproline | Phe-Pro : A dipeptide formed from L-phenylalanine and L-proline residues. | dipeptide | metabolite |
| glycylhistidine | Gly-His : A dipeptide composed of glycine and L-histidine joined by a peptide linkage. glycylhistidine: RN given refers to (L)-isomer | dipeptide; dipeptide zwitterion | metabolite |
| 1-aminoadenosine | 1-aminoadenosine: structure | ||
| 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine | benzothiazoles | ||
| 2-chloro-N-[3-(2-thiazolo[5,4-b]pyridinyl)phenyl]-3-pyridinecarboxamide | aromatic amide | ||
| 13-epi-sclareol | 13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source | ||
| 3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one | benzofurans | ||
| 6-(3-bromophenyl)-2-methyl-3-pyridinecarboxylic acid | phenylpyridine | ||
| sun | |||
| N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide | triazolopyrimidines | ||
| 7-[(3-chlorophenyl)methylthio]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one | aryl sulfide | ||
| 3-[(3-fluorophenyl)methylthio]-6-(2-furanyl)pyridazine | aryl sulfide | ||
| 5-Chloro-3-pyridinyl 2-furoate | carboxylic ester | anticoronaviral agent | |
| cinnamaldehyde thiosemicarbazone | cinnamaldehyde thiosemicarbazone: has antimicrobial activity; structure in first source | ||
| parthenolide | sesquiterpene lactone | drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug | |
| 6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid | phenylpyridine | ||
| 5-(1-phenyl-5-tetrazolyl)-2-pyridin-4-yl-4-thiophen-2-ylpyrimidine | organonitrogen heterocyclic compound | ||
| 2-[(1R,3S)-3-(7-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile | indoles | ||
| prolyl-serine | Pro-Ser : A dipeptide formed from L-proline and L-serine residues. | dipeptide | metabolite |
| (11S,14S)-Cyclo-(L-Trp-L-Phe) | indoles | Aspergillus metabolite | |
| 6-(4-ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine | pyridazines; ring assembly | ||
| 2-bromo-N-(phenylmethyl)benzenesulfonamide | sulfonamide | ||
| 1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea | 1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea: structure in first source | ||
| 2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide | piperidines | ||
| 1-(3-ethylphenyl)-3-(1-naphthalenyl)thiourea | naphthalenes | ||
| 2-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine | sulfonamide | ||
| N-[2-(4-methoxyphenyl)ethyl]-2-quinoxalinecarboxamide | quinoxaline derivative | ||
| 5-(4-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| n1-(2-aminophenyl)-n7-phenylheptanediamide | |||
| bml 210 | N1-(2-aminophenyl)-N8-phenyloctanediamide: InChIKey: RFLHBLWLFUFFDZ-UHFFFAOYSA-N | dicarboxylic acid diamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
| a 770041 | aromatic amide | ||
| bis(7)-tacrine | secondary amino compound | apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent | |
| 9h-purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-n-(1-methylethyl)- | 9H-purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-: an epichaperome (purine-scaffold) inhibitor; structure in first source | ||
| sl 327 | SL 327: a MEK inhibitor SL-327 : A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. | ||
| tws 119 | pyrroles | ||
| krn 633 | N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source | ||
| ((3z)-n-(3-chlorophenyl)-3-((3,5-dimethyl-4-((4-methylpiperazin-1-yl)carbonyl)-1h-pyrrol-2-yl)methylene)-n-methyl-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide) | sulfonamide | ||
| [4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | benzamides; N-acylpiperidine | ||
| c 1368 | |||
| pq 401 | PQ 401: an IGF receptor type I antagonist; structure in first source | quinolines | |
| N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamide | aromatic amide | ||
| N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine | imidazoles | ||
| N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide; thiophenes | ||
| 1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarbonitrile | pyridopyrimidine | ||
| 4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide | aromatic amide | ||
| 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(1-methyl-3-indolyl)ethanone | piperazines | ||
| chlorhexidine | chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque. | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
| sgd 301-76 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | antiinfective agent | |
| nihydrazone | nihydrazone: structure | ||
| Fezatione | toluenes | ||
| aldicarb sulfoxide | aldicarb sulfoxide: metabolite of aldicarb | ||
| phoxim | phoxim: structure | ||
| nifursol | |||
| 1-(3,4-dichlorophenyl)-3-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)guanidine | 1-(3,4-dichlorophenyl)-3-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)guanidine: structure | ||
| robenidine | |||
| azimilide | azimilide: structure given in first source; RN given refers to dihydrochloride | imidazolidine-2,4-dione | |
| gemifloxacin | gemifloxacin : A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position. Gemifloxacin: A naphthyridine and fluoroquinolone derivative antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used for the treatment of community-acquired pneumonia and acute bacterial infections associated with chronic bronchitis. | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
| 3-aminopyridine-2-carboxaldehyde thiosemicarbazone | 3-aminopyridine-2-carboxaldehyde thiosemicarbazone: a neuroprotective agent; structure given in first source | ||
| fenpyroximate | fenpyroximate: structure in first source | pyrazole acaricide; tert-butyl ester | mitochondrial NADH:ubiquinone reductase inhibitor |
| n-acetylglucosaminono-1,5-lactone o-(phenylcarbamoyl)oxime | N-acetylglucosaminono-1,5-lactone O-(phenylcarbamoyl)oxime: structure given in first source | ||
| binodenoson | |||
| asoprisnil | asoprisnil: structure in first source | ||
| dexlansoprazole | Dexlansoprazole: The R-isomer of lansoprazole that is used to treat severe GASTROESOPHAGEAL REFLUX DISEASE. | benzimidazoles; sulfoxide | |
| selamectin | milbemycin | ||
| lassbio 294 | |||
| 4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime | 4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime: a TRPA1 antagonist | ||
| 6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime | 6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime: a constitutive androstane receptor agonist; structure in first source | ||
| poloxin | poloxin: a polo-box domain inhibitor; structure in first source | ||
| armodafinil | armodafinil : A 2-[(diphenylmethyl)sulfinyl]acetamide that has R configuration at the sulfur atom. Like its racemate, modafinil, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. Peak concentration in the blood later occurs later following administration than with modafinil, so it is thought that armodafinil may be more effective than modafinil in treating people with excessive daytime sleepiness. | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
| fpl 15896ar | |||
| 3-((2-methyl-1,3-thiazol-4-yl)ethynyl)piperidine | 3-((2-methyl-1,3-thiazol-4-yl)ethynyl)piperidine: an excitatory amino acid antagonist | ||
| clasto-lactacystin beta-lactone | clasto-lactacystin beta-lactone: active metabolite of lactacystin; inhibits 20 S proteasome; structure in first source | ||
| azd 0328 | spiro(1-azabicyclo(2.2.2)octane-3,2'(3H)-furo(2,3-b)pyridine): AZD-0328 is the (2'R)-isomer and D-tartrate salt; an alpha7 neuronal nicotinic receptor agonist; structure in first source | ||
| 3,4,4'-trihydroxy-trans-stilbene | |||
| radafaxine | radafaxine: a bupropion metabolite; radafaxine is a (+)-isomer of hydroxybupropion | ||
| dov 216303 | |||
| pnu-282987 | carbonyl compound; organohalogen compound | ||
| sulphostin | sulphostin: isolated from Streptomyces; structure in first source | ||
| pridopidine | pridopidine: a dopamine stabilizer; structure in first source | ||
| osu 6162 | OSU 6162: reduces levodopa-induced dyskinesias without inducing akinesia | ||
| nvp-dpp728 | |||
| ave-8063 | AVE-8063: has both antivascular and antineoplastic activities; structure in first source | ||
| ssr180711 | SSR180711: a selective alpha7 acetylcholine nicotinic receptor (n-AChRs) partial agonist; structure in first source | ||
| jnj 10198409 | |||
| (4-benzylpiperidin-1-yl)-(6-hydroxy-1h-indol-2-yl)methanone | (4-benzylpiperidin-1-yl)-(6-hydroxy-1H-indol-2-yl)methanone: an NR2B-subunit selective antagonist; structure in first source | ||
| (R)-fluoxetine hydrochloride | (R)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (R)-fluoxetine with one equivalent of hydrochloric acid. | hydrochloride | antidepressant; serotonin uptake inhibitor |
| CB-13 | naphthalen-1-yl-(4-pentyloxynaphthalen-1-yl)methanone: has antihyperalgesic activity; structure in first source | benzophenones | |
| gw 7604 | GW 7604: structure in first source | ||
| am-411 | |||
| n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | |||
| pri-2205 | |||
| bms-262084 | BMS-262084: an azetidinone-based tryptase inhibitor; structure in first source | ||
| gw 501516 | GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. GW 501516: a selective PPARdelta agonist; structure in first source | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
| az 11645373 | AZ 11645373: InChIKey: VQEHBLGYANQWEA-UHFFFAOYSA-N | ||
| phenethylcymserine | phenethylcymserine: structure in first source | ||
| epigallocatechin-3-o-(3''-o-methyl)-gallate | catechin | ||
| givinostat | carbamate ester | ||
| zk 216348 | ZK 216348: ZK-209614 is the racemic mixture, ZK-216348 is the (+)-isomer, and ZK-216347 is the (-)-isomer; a selective glucocorticoid receptor agonist; structure in first source | ||
| atl 146e | BMS-068645: structure in first source | ||
| n-demethylloperamide | desmethyl loperamide : A monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid. N-demethylloperamide: loperamide metabolite; structure in first source | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | drug metabolite |
| av 412 | |||
| ym 60828 | YM 60828: YM-466 is the mesylate salt | ||
| reblastatin | reblastatin: structure in first source | ||
| braco-19 | BRACO-19: structure in first source | acridines; N-alkylpyrrolidine | |
| telatinib | |||
| edotecarin | |||
| y-39983 | Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first source | pyrrolopyridine | |
| dolastatin 10 | dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization. dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
| ave 0118 | |||
| cp 547632 | 3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source | ||
| timcodar | timcodar: a mutlidrug resistance inhibitor; structure in first source | ||
| n,n'-((5-(2-amino-5-(2-methylpropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(alanine) diethyl ester | N,N'-((5-(2-amino-5-(2-methylpropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(alanine) diethyl ester: structure in first source | ||
| bms345541 | 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first source | quinoxaline derivative | |
| norfenfluramine | Dexnorfenfluramine: D-isomer of Norfenfluramine | amphetamines | |
| 6-methylsulfinylhexyl isothiocyanate | 6-(Methylsulfinyl)hexyl isothiocyanate: showed a dose-dependent inhibition of LPS-induced nitric oxide (NO), iNOS mRNA and protein. | sulfoxide | |
| 5'-amino-5'-deoxyadenosine | |||
| pd 144418 | |||
| estradiol-3,17-diacetate | steroid ester | ||
| pnu-95666 | |||
| benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)- | |||
| rwj 68354 | |||
| ly 341495 | xanthenes | ||
| cp 293019 | CP 293019: structure given in first source | ||
| cycloproparadicicol | cycloproparadicicol: structure in first source | ||
| spc-839 | SPC-839: an inhibitor of activator protein 1; structure in first source | ||
| norgestomet | norgestomet: synthetic 19-norprogesterone that synchronizes estrus in cattle without reducing fertility; affects pituitary gonadotropins & the menstrual cycle in humans; minor descriptor (79-86), on-line & INDEX MEDICUS search PREGNENEDIONES (79-86); RN given refers to (11beta)-isomer | ||
| (2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine | (2S,3S)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine: structure given in first source | ||
| hu 210 | 1-benzopyran | ||
| (11c)cgs 25966 | |||
| ganstigmine | ganstigmine: structure in first source | ||
| bb-78485 | BB-78485: structure in first source | ||
| sb 223245 | |||
| lenvatinib | lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
| tak 029 | TAK 029: structure in first source | ||
| ro 32-3555 | Ro 32-3555: structure given in first source | ||
| adw 742 | |||
| 17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan | |||
| gw843682x | (trifluoromethyl)benzenes | ||
| gw 803430 | |||
| pd 0325901 | mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
| n-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-(pyridin-2-yl)benzamide | |||
| slv 319 | ibipinabant: structure in first source | ||
| tzd 18 | |||
| a-317491 | A-317491: structure in first source | ||
| midostaurin | midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
| l 755507 | L 755507: a benzenesulfonamide derivative; structure in first source | ||
| ro 28-2653 | Ro 28-2653: a synthetic matrix metalloproteinase inhibitor reduces tumor growth and prolongs survival in a prostate cancer standard rat model | ||
| efatutazone | efatutazone: a high-affinity PPARgamma agonist with antineoplastic activity | ||
| dectomax | |||
| uk-432097 | UK-432097: a highly potent and selective agonist and drug candidate for chronic obstructive pulmonary disease (COPD) treatment; structure in first source | ||
| prolylvaline | Val-Pro : A dipeptide formed from L-valine and L-proline residues. | dipeptide | metabolite |
| mgs 0028 | MGS 0028: a group II mGluR agonist; structure in first source | ||
| 2-pyridin-2-yl-4h-1,3-benzothiazin-4-one | 2-pyridin-2-yl-4H-1,3-benzothiazin-4-one: a cardioprotective agent; structure in first source | ||
| 2-(4'-methylaminophenyl)benzothiazole | 2-(4'-methylaminophenyl)benzothiazole: binds amyloid-beta fibrils; structure in first source | ||
| tapentadol | Tapentadol: An opioid analgesic, MU OPIOID RECEPTOR agonist, and noradrenaline reuptake inhibitor that is used in the treatment of moderate to severe pain, and of pain associated with DIABETIC NEUROPATHIES. | alkylbenzene | |
| abt 866 | ABT 866: an alpha1-adrenoceptor ligand; structure in first source | ||
| nebicapone | nebicapone: structure in first source | ||
| qh-ii-66 | QH-II-66: a alpha5-GABAA receptor agonist | ||
| reparixin | reparixin: inhibits CXCR1 to prevent polymorphonuclear cell recruitment | monoterpenoid | |
| azd9272 | AZD9272: an mGluR5 antagonist | ||
| o-demethyltramadol | alkylbenzene; ring assembly | ||
| dysiherbaine | dysiherbaine : A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy, (2S)-2-amino-2-carboxyethyl, hydroxy and methylamino groups at positions 2, 2, 6, and 7, respectively (the 2R,3aR,6S,7R,7aR-stereoisomer). A convulsant isolated from the marine sponge Dysidea herbacea that has high affinity for kainate ionotropic glutamate receptors. dysiherbaine: an exitotoxic amino acid; structure in first source | amino dicarboxylic acid; furopyran; hydroxy carboxylic acid; secondary amino compound | animal metabolite; excitatory amino acid agonist; marine metabolite; neurotoxin |
| ag 14361 | benzimidazoles | ||
| 4-iodo-2,5-dimethoxyphenylisopropylamine, (r)-isomer | |||
| tqx 173 | |||
| n(6)-cyclohexyladenosine | N(6)-cyclohexyladenosine: structure given in first source; receptors, purinergic P1 agonist | ||
| 2-propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-azacyclopent-1-ena(c)phenanthrene-9,10-diol | A 86929: a selective dopamine D1 agonists; structure given in first source | ||
| ne 100 | |||
| brl 37344 | BRL 37344: SB 206606 is the (R,R)-isomer | monocarboxylic acid | |
| 4-trimethylammonio-3-((tetradecylcarbamoyl)amino)butyrate | |||
| cp 91149 | CP 91149: inhibits liver glycogen phosphorylase; structure in first source | ||
| ap 2238 | |||
| lg 1506 | |||
| fursultiamin monohydrochloride | organic molecular entity | ||
| l 772405 | L 772405: an h5-HT(1D) receptor agonist; structure in first source | ||
| pr-104a | PR-104A: 3,5-dinitrobenzamide nitrogen mustard, an alkyating antineoplastic; PR-104A is the corresponding alcohol of PR104 | ||
| proflavine hemisulfate | |||
| sr 147778 | surinabant: structure in first source | pyrazoles; ring assembly | |
| px-866 | PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source | acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| ki23057 | Ki23057: K-samII/FGF-R2 phosphorylation inhibitor for treatment of scirrhous gastric cancer; structure in first source | ||
| cyclic(arg-gly-asp-d-phe-val) | |||
| apigenin-7-o-rutinoside | |||
| gambogic acid | gambogic acid: RN given refers to (1R-(1alpha,1(Z),3abeta,5alpha,11beta,14aS*))-isomer | pyranoxanthones | metabolite |
| l-454,560 | L-454,560: Phosphodiesterase Inhibitor; structure in first source | ||
| mk-0429 | |||
| fluticasone furoate | fluticasone furoate : A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease. fluticasone furoate: a glucocorticoid; structure in first source | 11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester | anti-allergic agent; anti-asthmatic drug; prodrug |
| gentamicin sulfate | |||
| desmethylselegiline hydrochloride | |||
| sb-505124 | SB 505124 : A member of the class of imidazoles carrying tert-butyl, 1,3-benzodioxol-5-yl and 6-methylpyridin-2-yl substituents at positions 2, 4 and 5 respectively. | benzodioxole; imidazoles; methylpyridines | TGFbeta receptor antagonist |
| st 1535 | |||
| nu 7026 | 2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source | organic heterotricyclic compound; organooxygen compound | |
| cyazofamid | cyazofamid : A member of the class of imidazoles carrying dimethylsulfamyl, cyano, chloro and 4-tolyl substituents at positions 1, 2, 4 and 5 respectively. A fungicide used mainly for controlling Oomycete and Plasmodiophora diseases on potatoes and tomatoes. It is a skin and eye irritant and is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. cyazofamid: a fungicide; structure in first source | imidazole fungicide; imidazoles; nitrile; organochlorine compound; sulfamides; sulfonamide fungicide | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
| morachalcone a | morachalcone A: tyrosinase inhibitor from the wood of Artocarpus heterophyllus; structure in first source | chalcones | |
| s 21007 | |||
| sb258741 | |||
| nrx 194204 | IRX4204: retinoid X receptor (RXR) agonist; structure in first source | ||
| agn 194204 | AGN 194204: a retinoid X receptor ligand; structure in first source | ||
| sb 242235 | SB 242235: p38 MAP kinase antagonist | ||
| ripasudil | isoquinolines | ||
| fr 148083 | 5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
| LL-Z1640-1 | macrolide; resorcinols | metabolite | |
| gft505 | |||
| f 13640 | befiradol: a selective serotonin 5-HT1A receptor agonist | ||
| mocetinostat | mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). mocetinostat: undergoing phase II clinical trials for treatment of cancer | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
| [2-[[2-[(dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanol | aryl sulfide | ||
| cp 105696 | CP 105696: a leukotriene B4 receptor antagonist; structure in first source | ||
| 17-hydroxywortmannin | 17-hydroxywortmannin: inhibits secretion of human neutrophils | ||
| jte 907 | JTE 907: a cannabinoid CB2 receptor ligand; structure in first source | aromatic amide; quinolines | |
| osi 930 | OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | aromatic amide | |
| sabiporide | sabiporide: a NHE-1 inhibitor and a cardioprotective agent; structure in first source | ||
| sb 273005 | |||
| s 33084 | S 33084: a dopamine D3 receptor antagonist; structure in first source | ||
| (1rs,1's)-peaqx | |||
| k201 compound | K201 compound: structure given in first source | ||
| 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3 h-benzimidazole-5-carboxamide | 3-(2,4-dichlorobenzyl)-2-methyl-N-(pentylsulfonyl)-3 H-benzimidazole-5-carboxamide: a benzimidazole derivative | ||
| cgp 74588 | CGP 74588: a metabolite of STI-571; structure in first source | benzamides | |
| ki 20227 | |||
| abt-770 | ABT-770: structure in first source | ||
| gw 9578 | GW 9578: a peroxisome proliferator-activated receptor alpha agonist; structure in first source | ||
| yf 476 | YF 476: gastrin and CCK-B receptor antagonist; structure in first source | ||
| gw 7845 | GW 7845: ligand of the peroxisome proliferator-activated receptor-gamma; structure in first source | ||
| scio-469 | SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004 talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| ssr 69071 | SSR 69071: structure in first source | pyridopyrimidine | |
| ro 70-0004 | |||
| proanthocyanidin a1 | procyanidin A1: from aqueous extract of peanut skin; structure in first source | flavonoid oligomer | |
| em 800 | EM 800: EM-800 is the prodrug of EM-652; EM-800 and EM-776 are (S)- and (R)-isomers, respectively; structure in first source | ||
| cp 724714 | 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
| bms453 | BMS 189453: structure in first source BMS-453 : A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It is a potent retinoic acid receptor gamma (RARbeta) agonist that acts as an antagonist against RARalpha and RARgamma. | benzoic acids; dihydronaphthalenes; stilbenoid | retinoic acid receptor alpha antagonist; retinoic acid receptor beta agonist; retinoic acid receptor gamma antagonist; teratogenic agent |
| zotarolimus | zotarolimus: synthetic analog of rapamycin; structure in first source | lactam; macrolide | |
| gpi 6150 | |||
| sb 3ct compound | SB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first source | aromatic ether | |
| dimethisoquin hydrochloride | |||
| 3-hydroxy-4,3',4',5'-tetramethoxychalcone | 3-hydroxy-4,3',4',5'-tetramethoxychalcone: structure in first source | ||
| pi103 | PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| n-((1s,trans)-2-hydroxycyclopentyl)adenosine | N-((1S,trans)-2-hydroxycyclopentyl)adenosine: structure given in first source; an adenosine A1 receptor agonist | purine nucleoside | |
| pd 90780 | PD 90780: a nonpeptide inhibitor of nerve growth factor; structure given in first source | ||
| 3,5-bis(2-fluorobenzylidene)piperidin-4-one | 3,5-bis(2-fluorobenzylidene)piperidin-4-one: an antineoplastic agent; structure in first source | ||
| disodium fluorescein | |||
| l 365260 | |||
| org 41841 | Org 41841: structure in first source | pyrimidines; thienopyrimidine | |
| slv 313 | |||
| emindole SB | terpenoid indole alkaloid | Aspergillus metabolite; marine metabolite; Penicillium metabolite | |
| dapagliflozin | aromatic ether; C-glycosyl compound; monochlorobenzenes | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor | |
| solabegron | solabegron : A carboxybiphenyl that is [biphenyl]-3-carboxylic acid carrying a (2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)nitrilo group at the 3' position. A selective beta3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome. solabegron: GW-427353 is the (R)-isomer; | carboxybiphenyl; monochlorobenzenes; secondary alcohol; secondary amino compound; substituted aniline | beta-adrenergic agonist |
| hmr 1556 | HMR 1556: an I(Ks) channel blocker; structure in first source | ||
| pd 166793 | |||
| 10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenone | DMP 543: neurotransmitter release enhancer; structure given in first source | anthracenes | |
| nnc 05-2090 | NNC 05-2090: structure given in first source | carbazoles | |
| naveglitazar | naveglitazar: LY-519818 is the (alpha-S)-isomer; an antidiabetic agent; structure in first source | aromatic ether | |
| fauc 346 | FAUC 346: a D3 dopamine receptor antagonist; structure in first source | ||
| hmn-214 | (E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source | ||
| hx 630 | HX 630: a retinoid X receptor ligand that functions as both an RAR synergist and peroxisome proliferator-activated receptor gamma synergist; structure in first source | ||
| vuf 2274 | 5-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile: an inverse agonist of human cytomegalovirus; structure in first source | ||
| ly 465608 | LY 465608: a nonthiazolidinedione agonist of both PPAR-alpha and PPAR-gamma of Ligand Pharm. and Eli Lilly | ||
| ct52923 | CT52923: structure in first source | ||
| ngb 2904 | NGB 2904: a dopamine D3 receptor antagonist; structure in first source | fluorenes | |
| l 796449 | L 796449: a peroxisomal proliferator-activated receptor-gamma agonist; structure in first source | ||
| sc 78080 | |||
| ipi 493 | 17-aminogeldanamycin: structure in first source | ||
| nsc 348103 | |||
| u 74389g | |||
| idn 5390 | IDN 5390: structure in first source | ||
| 2,2,2-trifluorodiazoethane | 2,2,2-trifluorodiazoethane: structure in first source | ||
| 2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine | |||
| PI3-Kinase alpha Inhibitor 2 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| y 27632, dihydrochloride, (4(r)-trans)-isomer | |||
| 2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide | 2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide: an IKK-2 kinase inhibitor; structure in first source | aromatic amide; thiophenes | |
| uab 30 | |||
| u 92016a | |||
| ro 31-9790 | Ro 31-9790: hydroxamic acid derivative | ||
| 4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one | 4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one: structure in first source | ||
| tgx 221 | TGX 221: a platelet aggregation inhibitor | pyridopyrimidine | |
| sa 4503 | |||
| spiromesifen | spiromesifen : A butenolide that is but-2-en-4-olide bearing a 2,4,6-trimethylphenyl group at position 3, a 3,3-dimethylbutyryloxy group at position 4 and a spiro-fused cyclopentyl ring at position 5. spiromesifen: insecticide; structure in first source | butenolide | insecticide |
| flb 457 | FLB 457: RN given refers to parent cpd without isomeric designation; structure given in first source | ||
| cymserine | cymserine: butyrylcholinesterase inhibitor; structure in first source | ||
| fty 720p | fingolimod phosphate : A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod. | monoalkyl phosphate; primary alcohol; primary amino compound | antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist |
| ic 87114 | IC 87114: structure in first source | 6-aminopurines; biaryl; quinazolines | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| l 838,417 | L 838,417: structure in first source | ||
| pnu 109291 | PNU 109291: 5-HT(1D) receptor agonist; structure in first source | ||
| pnu 96415e | piperazines | ||
| sr 271425 | SR 271425: structure in first source | ||
| 2-(2-(4-chlorophenyl)ethoxy)adenosine | 2-(2-(4-chlorophenyl)ethoxy)adenosine: a adenosine A2A receptor agonist | ||
| sb 269,652 | |||
| mcc-950 | |||
| sb 705498 | SB 705498: structure in first source | ||
| sp 100030 | N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide: transcription factor inhibitor specific to T-cells | ||
| hmr 1275 | alvocidib hydrochloride : A hydrochloride salt resulting from the formal reaction of equimolar amounts of alvocidib and hydrogen chloride. A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. | hydrochloride | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| 1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-(2-(mopholin-4-yl)ethyl)-1h-indole | N-acylindole | ||
| tivozanib | N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source | aromatic ether | |
| n-((2s)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-l-leucyl-n,3- dimethyl-l-valinamide | N-((2S)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-L-leucyl-N,3- dimethyl-L-Valinamide: matrix metalloproteinase inhibitor | ||
| zm 447439 | ZM447439 : A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively. | aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor |
| sr 48527 | SR 48527: SR 48527 is the S-enantiomer; SR-49711 is the R-enantiomer | ||
| hki 272 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor | |
| thiocolchicoside | thiocolchicoside: used in combination with glafenine and meprobamate to tranquilize patients undergoing hysterosalpingography; structure | glycoside | |
| lissamine rhodamine b | lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion. | organic sodium salt | fluorescent probe; fluorochrome; histological dye |
| 3,9-bis((ethylthio)methyl)-k-252a | 3,9-bis((ethylthio)methyl)-K-252a: RN given for (9S-(9alpha,10beta,12alpha))-isomer; mixed lineage kinase inhibitor, neuroprotective agent, and neurotrophic agent derived from K-252a; structure in first source | ||
| memoquin | memoquin: structure in first source | ||
| dolastatin 15 | dolastatin 15: from Dolabella auricularia; seven subunit depsipeptide | ||
| sorbitan monooleate | fatty acid ester | ||
| perampanel | perampanel : A member of the class of bipyridines that is 2,3'-bipyridin-6'-one substituted at positions 1' and 5' by phenyl and 2-cyanophenyl groups respectively. Used as an adjunctive therapy for the treatment of partial-onset seizures in patients with epilepsy. | bipyridines; nitrile; pyridone | AMPA receptor antagonist; anticonvulsant |
| cay 10499 | carbamate ester | ||
| bms345541 | |||
| tofacitinib | tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis. | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| mavoglurant | mavoglurant: antagonist of metabotropic glutamate receptor 5 | ||
| (-)-n-((2s,3r)-3-amino-2-hydroxy-4-phenyl-butyryl)-l-leucine methyl ester | |||
| bibr 1532 | |||
| ry 024 | RY 024: structure in first source | ||
| ly 404187 | LY 404187: structure in first source | ||
| tolserine | tolserine: structure in first source | ||
| n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | |||
| n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide | N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide: a vanilloid receptor 1 antagonist and analgesic; structure in first source | piperazines; pyridines | |
| hypothemycin | hypothemycin : A macrolide that is isolated from the cultured broth of Hypomyces subiculosus and shows antifungal activity and inhibits the growth of some human cancer cells. hypothemycin: a resorcylic acid lactone antibiotic; antifungal metabolite from Hypomyces trichothecoides | aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone | antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite |
| rhodamine 123 | organic chloride salt; xanthene dye | fluorochrome | |
| tryprostatin a | tryprostatin A : A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and methoxy groups respectively. tryprostatin A: isolated from Aspergillus fumigatus; a mammalian cell cycle inhibitor; structure given in first source | aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine | breast cancer resistance protein inhibitor |
| n-(4-chloro-2-((1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl)phenyl)-2-hydroxybenzamide | N-(4-chloro-2-((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)phenyl)-2-hydroxybenzamide: a positive allosteric modulator of mGluR5; structure in first source | ||
| rucaparib | AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| arginyl-glycyl-aspartyl-valine | |||
| cediranib | aromatic ether | ||
| l 706000 | L 706000: a spirobenzopyran piperidine; structure given in first source | ||
| tae226 | TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source | morpholines | |
| gw0742 | GW 610742: structure in first source | monocarboxylic acid | |
| 3-chloro-4-(3-(7-propyl-3-trifluoromethyl-6-benzisoxazolyl)propylthio)phenylacetic acid | |||
| sb 743921 | |||
| arenastatin a | |||
| sr 142948a | SR 142948A: structure in first source | ||
| mepartricin | |||
| ns-220 | |||
| pf9601n | |||
| pitolisant | pitolisant: functions as both inverse agonist and antagonist of histamine H3 receptors; structure in first source | organochlorine compound | |
| 4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | |||
| 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2h)-isoquinolinone | |||
| ps1145 | PS1145: IkappaB kinase inhibitor; structure in first source | beta-carbolines | |
| npi 2358 | NPI 2358: antineoplastic; structure in first source plinabulin : A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by benzylidene and (5-tert-butyl-1H-imidazol-4-yl)methylidene groups at positions 3 and 6, respectively. It is a vascular disrupting agent and a microtubule destabalising agent which was in clinical trials (now discontinued) for the treatment of non-small cell lung cancer. | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
| l-779,450 | L-779,450: B-Raf kinase inhibitor; structure in first source | imidazoles | |
| n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride | aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound | antipsychotic agent; receptor modulator | |
| tak-715 | N-(4-(2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide: anti-rheumatoid arthritis agent; structure in first source | benzamides | |
| bm 131246 | |||
| rs 504393 | RS 504393: structure in first source | 1,3-oxazoles | |
| chir 99021 | CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively. Chir 99021: structure in first source | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
| gw 590735 | 2-methyl-2-(4-(((4-methyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylcarbonyl)amino)methyl)phenoxy)propionic acid: an HDLc raising agent; structure in first source | ||
| NNC 55-0396 (free base) | benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker | |
| bio 1211 | BIO 1211: integrin alpha4beta1 inhibitor; structure in first source | ||
| vortioxetine | vortioxetine : An N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder. Vortioxetine: A piperazine derivative that acts as a serotonin reuptake inhibitor, as a 5-HT3 receptor antagonist, and 5-HT1A receptor agonist. It is used for the treatment of anxiety and depression. | aryl sulfide; N-arylpiperazine | antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist |
| medigoxin | spirotetramat : An azaspiro compound that is methoxycyclohexane which is fused at position 4 to the 5-position of a 1,5-dihydro-2H-pyrrol-2-one that is substituted at positions 3 and 4 by 2,5-dimethylphenyl and (ethoxycarbonyl)oxy groups, respectively (the cis isomer). It is a proinsecticide (via hydrolysis of the ethyl carbonate group to give the corresponding 4-hydroxypyrrol-2-one, "spirotetramat-enol") and is used for the control of a wide range of sucking insects on fruit and potato crops. spirotetramat: for the control of a broad spectrum of sucking insects; structure in first source | ||
| pwz-029 | PWZ-029: a compound with moderate inverse agonist functional selectivity at GABA(A) receptors containing alpha5 subunits, improves passive, but not active, avoidance learning in rats; structure in first source | ||
| CAY10435 | oxazolopyridine | ||
| tirotundin | tirotundin: structure in first source | ||
| sr 11302 | SR 11302: structure given in first source SR11302 : A retinoid that is all-trans-retinoic acid in which the methyl group at position 9 is replaced by a 4-methylphenyl group. It is an inhibitor of activator protein-1 which exhibits antitumour effects in vivo. | alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes | antineoplastic agent; AP-1 antagonist |
| hippuristanol | hippuristanol: from the gorgonian Isis hippuris | ||
| cumambrin b | cumambrin B: RN given for (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-isomer; isolated from Chrysanthemum boreale; structure in first source | ||
| pp-33 | |||
| chf 5074 | 1-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid: a beta-amyloid(1-42) lowering agent; structure in first source | ||
| trantinterol | trantinterol: beta(2)-adrenoceptor agonist, structure in first source | ||
| amg 3 | AMG 3: structure in first source | ||
| incb3344 | INCB3344: potent and selective small molecule CCR2 chemokine receptor antagonist | ||
| nutlin 1 | nutlin 1: an MDM2 antagonist; structure in first source | ||
| 680c91 | 680C91 : A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin. | fluoroindole; olefinic compound; pyridines | EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor |
| 1-phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene | 1-phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene: a 5-HT2C agonist and 5-HT2A,2B antagonist; RN refers to (trans)-isomer; a phenylaminotetralin; structure given in first source | ||
| chamissonolide | chamissonolide: structure given in first source | ||
| n-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide | N-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide: structure in first source | ||
| way-362450 | indoles | ||
| arachidonoylserotonin | arachidonoylserotonin: an NSAID with antinociceptive activity; fatty acid amide hydrolase inhibitor; structure in first source N-arachidonoylserotonin : An N-acylserotonin obtained by formal condensation of the carboxy group of arachidonic acid with the primary amino group of serotonin. | N-acylserotonin; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule |
| sb-656104-a | SB-656104-A: structure in first source | ||
| l 748,337 | L 748,337: a huamn beta3-adrenergic receptor antagonist; structure in first source | ||
| ly2090314 | LY-2090314 : A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer. | diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
| leucettamine b | leucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source | ||
| altrenogest | altrenogest: a synthetic PROGESTERONE agonist; used in estrus synchronization | 3-hydroxy steroid | |
| arp-100 | |||
| kb r8301 | |||
| cp 945598 | |||
| caproctamine | caproctamine: an M1 and M3 receptor antagonist; also inhibits acetylcholinesterase; structure in first source | ||
| ly 389795 | LY 389795: a group II metabotropic glutamate receptor agonist; structure in first source | ||
| metapristone | metapristone: a potential cancer metastatic chemopreventive agent derived from mifepristone (RU486); structure in first source | ||
| pimavanserin | pimavanserin : A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease. pimavanserin: A 5-HT(2A) inverse agonist; ACP-103 is the dihydroxybutanedioate (2:1) salt. It is used to treat hallucinations and delusions associated with PARKINSON DISEASE; structure in first source. | aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas | 5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist |
| masitinib | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | |
| methyl 3,5-di-o-caffeoyl quinate | 3,5-dicaffeoylquinic acid methyl ester: results suggest that the effect of 3,5-dicaffeoylquinic esters on CHS is associated with a decrease in the production of interleukins, but not with the inhibition of iNOS expression. Moreover, esterification of the carboxyl group at C-1 enhanced protection against tyrosine nitration in the skin methyl 3,5-di-O-caffeoyl quinate : A methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity. | ||
| bx795 | BX795: structure in first source | ureas | |
| propyl caffeate | propyl caffeate: has antioxidant activity; structure in first source | ||
| n,n-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine | |||
| ly-2157299 | LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
| 4-hydroxy-n-desmethyltamoxifen | 4-hydroxy-N-desmethyltamoxifen: metabolite of tamoxifen in human bile | stilbenoid | |
| tert-butyl peroxybenzoate | |||
| delta-viniferin | (2S,3S)-trans-delta-viniferin : A stilbenoid that is the (2S,3S)-trans-stereoisomer of delta-viniferin, obtained by cyclodimerisation of trans-resveratrol. delta-viniferin: resveratrol dehydrodimer, an isomer of epsilon-viniferin; isolated from grapevine leaves; structure in first source | 1-benzofurans; polyphenol; stilbenoid | |
| linagliptin | linagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes. Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS. | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
| oblongifolin c | oblongifolin C: has antineoplastic activity; isolated from Garcinia yunnanensis; structure in first source | ||
| 2,4,2',4'-Tetrahydroxychalcone | chalcones | ||
| huprine y | huprine Y: structure in first source | ||
| octyl caffeate | octyl caffeate: an antioxidant; structure in first source | ||
| urb 524 | |||
| pazopanib | pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer. pazopanib: a protein kinase inhibitor | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
| opc-14857 | OPC-14857: metabolite of aripiprazole; structure in first source | ||
| 2-(2-furanyl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)-1-piperazinyl)ethyl)-7h-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidine-5-amine | |||
| azd 6244 | AZD 6244: a MEK inhibitor | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| way 163909 | |||
| 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1h-indole | 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole: a 5-HT6 agonist; structure in first source | indoles | |
| levodopa methyl ester hydrochloride | |||
| 4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylaniline | imidazoles | ||
| 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1h-1,2,4-triazole | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1H-1,2,4-triazole: a neutral cannabinoid receptor antagonist with antiobesity effects; structure in first source | ||
| su 14813 | 5-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source | ||
| am 1241 | AM 1241: a CB(2) receptor-selective agonist; no further information available 11/2001 | ||
| alanylpyrrolidine-boronic acid | |||
| way 181187 | |||
| odanacatib | odanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source | ||
| 2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole | |||
| n-caffeoyldopamine | N-caffeoyldopamine: structure in first source | ||
| gsk215083 | GSK215083: a PET radioligand for 5-HT6 receptor; structure in first source | ||
| a 443654 | A 443654: an Akt kinase inhibitor; structure in first source | indoles | |
| bibw 2992 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor | |
| 6-(3-hydroxyphenyl)-2-naphthol | 6-(3-hydroxyphenyl)-2-naphthol: has inhibitory effects on tyrosinase activity and melanin synthesis; structure in first source | ||
| ly 379268 | LY 379268 : An organic heterobicyclic compound that is (1R,5S)-2-oxabicyclo[3.1.0]hexane carrying amino, carboxy, and carboxy groups at positions 4R, 4R and 6R, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 and mGluR3 (EC50 = 2.69 nM and 4.48 nM, respectively) that exhibits antipsychotic-like action in animal models of schizophrenia. LY 379268: group II metabotropic glutamate receptor agonist; structure in first source | amino dicarboxylic acid; bridged compound; organic heterobicyclic compound | antipsychotic agent; anxiolytic drug; metabotropic glutamate receptor agonist; neuroprotective agent |
| 3-(5-pyridin-2-yl-2h-tetrazol-2-yl)benzonitrile | 3-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitrile: structure in first source | ||
| N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide : A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline. | 1,3,4-oxadiazoles; benzamides; biphenyls; nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| nu 6140 | 4-(6-cyclohexylmethoxy-9H-purin-2-ylamino)-N,N-diethylbenzamide: a cyclin-dependent kinase inhibitor; structure in first source | ||
| methyl 5-(n-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)morpholine-4-carboxamido)pentanoate | methyl 5-(N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)morpholine-4-carboxamido)pentanoate: a malonyl-CoA decarboxylase inhibitor; structure in first source | ||
| ar c155858 | AR C155858: an MCT1 inhibitor; structure in first source | ||
| int 131 | INT 131: a hypoglycemic agent; structure in first source | ||
| 77-lh-28-1 | 77-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source | ||
| licoflavone c | licoflavone C: Antimutagenic Agent; a naturally occurring prenyl-flavone extracted from Genista ephedroides; structure in first source | ||
| km-233 | KM-233: used for the treatment of high-grade glioma; structure in first source | ||
| 2-(4-iodo-2,5-dimethoxyphenyl)-n-(2-methoxybenzyl)ethanamine | 2-(4-iodo-2,5-dimethoxyphenyl)-N-(2-methoxybenzyl)ethanamine: a PET radioligand and 5-HT(2A) receptor agonist; also used as a designer drug; structure in first source | ||
| 1-(2,4-dichlorophenyl)-6-methyl-N-(1-piperidinyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide | pyrazoles; ring assembly | ||
| gw 842166x | dichlorobenzene | ||
| arisugacin | arisugacin A : An organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by 3,4-dimethoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase. arisugacin: isolated from Penicillium sp. FO-4259; structure given in first source | aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol | antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite |
| n,n-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamine | N,N-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamine: structure in first source | aryl sulfide | |
| teferin | teferin: isolated from Ferula hermonis; structure in first source | ||
| aleglitazar | aleglitazar: a dual peroxisome PPAR-alpha and PPAR-gamma agonist for type 2 diabetes | ||
| betrixaban | betrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade. betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| pik 75 | PIK 75: structure in first source | ||
| fauc 365 | FAUC 365: a dopamine D3 receptor antagonist; structure in first source | ||
| erteberel | erteberel: an estrogen receptor beta agonist | ||
| binimetinib | binimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib. | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| jyl 1421 | JYL 1421: a vanilloid receptor antagonist; structure in first source | ||
| sb-649915 | SB-649915: potent 5-HT1A and 5-HT1B autoreceptor antagonist and 5-HT re-uptake inhibitor | ||
| sotrastaurin | sotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source | indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines | anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent |
| aee 788 | AEE 788: structure in first source | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
| saracatinib | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent | |
| r 306465 | |||
| az10606120 | AZ10606120: a P2X7 receptor antagonist | ||
| lu 19005 | |||
| gsk 369796 | N-tert-butylisoquine: an antimalarial; structure in first source | ||
| ko 143 | beta-carbolines; tert-butyl ester | ||
| 2-acetylfuranonaphthoquinone | 2-acetylfuranonaphthoquinone: has antineoplastic activity; structure in first source | ||
| 11-hydroxy-n-(n-propyl)noraporphine hydrochloride, (r)-isomer | |||
| fauc 213 | |||
| bavachinin | bavachinin: do not confuse with bavachin | flavanones | |
| way-208466 | |||
| as 1517499 | |||
| vx 702 | VX 702: a p38 MAP kinase inhibitor | phenylpyridine | |
| Cycloartobiloxanthone | cycloartobiloxanthone: a flavonoid isolated from stem bark of Artocarpus gomezianus; has antineoplastic properties | pyranoxanthones | |
| l 764646 | |||
| ws-5995 c | WS-5995 C: structure in first source | benzenes; naphthalenes; ring assembly | |
| kaspar | kaspar: structure given in first source | ||
| crenolanib | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| azd3965 | AZD3965: a monocarboxylate transporter-1 inhibitor with antineoplastic activity; structure in first source | ||
| secramine a | secramine A: inhibits VSVG transport from the Golgi to the plasma membrane; also inhibits Cdc42-dependent cell functions; structure in first source | ||
| batefenterol | batefenterol: a bronchodilator | ||
| m-chlorophenylguanidine | |||
| jwh 018 | 1-pentyl-3-(1-naphthoyl)indole: structure in first source | indolecarboxamide | |
| ((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer | |||
| (1,2-bis(1,2-benzisoselenazolone-3(2h)-ketone))ethane | (1,2-bis(1,2-benzisoselenazolone-3(2H)-ketone))ethane: has antineoplastic activity; structure in first source | ||
| n(6)-(2,2-diphenylethyl)adenosine | N(6)-(2,2-diphenylethyl)adenosine: adenosine receptor agonist; structure given in first source | ||
| cgs 24012 | CGS 24012: adenosine agonist with both high affinity & selectivity for the adenosine A2 receptor | ||
| 9-(aminomethyl)-9,10-dihydroanthracene | 9-(aminomethyl)-9,10-dihydroanthracene: 5HT2A receptor antagonist; structure in first source | ||
| 6-chlorotacrine | 6-chlorotacrine: structure given in first source | ||
| 3-fluoro-5-(5-pyridin-2-yl-2h-tetrazol-2-yl)benzonitrile | 3-fluoro-5-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitrile: structure in first source | ||
| fenamidone | fenamidone : A member of the class of imidazolones that is 3,5-dihydroimidazol-4-one substituted at position 2 by a methylthiogroup, at position 3 by an anilino group and at position 5 by phenyl and methyl groups (the S-enantiomer). A fungicide effective against Oomycete diseases such as downy mildew and certain leaf spot diseases. fenamidone: a fungicide against downy mildew; structure in first source | carbohydrazide; imidazole fungicide; imidazolone; organic sulfide | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor |
| methylhistaprodifen | |||
| n-cyclopropyl adenosine-5'-carboxamide | |||
| fauc 113 | |||
| macelignan | macelignan: an NSAID with antioxidant, free radical scavenging, and neuroprotective activities; structure in first source | lignan | |
| desmethoxyfallypride | desmethoxyfallypride: structure given in first source | ||
| triptohypol C | triptohypol C : A pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. | benzenediols; monocarboxylic acid; pentacyclic triterpenoid | apoptosis inducer; plant metabolite |
| biapigenin | biapigenin: bis-apigenin coupled at 3' & 3' positions; inhibits various cytochrome P450 enzymes; isolated from St. John's Wort | flavonoid oligomer | |
| meridianin a | meridianin A: structure in first source | ||
| 9-hydroxy-4-androstene-3,17-dione | 9-hydroxy-4-androstene-3,17-dione: structure given in first source; RN given refers to parent compound 9alpha-hydroxyandrost-4-en-3,17-dione : A 3-oxo-Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17 and a hydroxy group at position 9. | 17-oxo steroid; 3-oxo-Delta(4) steroid; 9-hydroxy steroid | |
| 2-(3',4',5',6'-tetrahydro-2'h-(2,4') bipyridinyl-1'-yl)-n-m-tolyl-acetamide | |||
| ol-135 | |||
| tg100-115 | 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first source | pteridines | |
| uncarine c | uncarine C: stereoisomeric pentacyclic oxindole alkaloid from Uncaria tomentosa; structure in first source | indolizines | |
| msdc-0160 | MSDC-0160: an mTOT (mitochondrial target of thiazolidinediones) modulator for insulin sensitization; structure in first source | aromatic ether | |
| methyl arachidonylfluorophosphonate | phosphonic ester | ||
| cj 033466 | CJ 033466: structure in first source | ||
| cc 401 | CC 401: an anthrapyrazolone | pyrazoles; ring assembly | |
| bms 599626 | |||
| galidesivir | |||
| 3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile | 3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile: a serotonin transporter antagonist; structure in first source | ||
| histaprodifen | |||
| (5R)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | benzazepine | ||
| exel-7647 | tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties. | ||
| snap 5114 | |||
| volasertib | BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source | ||
| pha 665752 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
| batatasin-iii | stilbenoid | ||
| 4-Methoxylonchocarpin | chalcones | ||
| PB28 | PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
| flurogestone acetate | Flurogestone Acetate: A synthetic fluorinated steroid that is used as a progestational hormone. | corticosteroid hormone | |
| 3-dihydroxy-6-methyl-7-(phenylmethyl)-4-propylnaphthalene-1-carboxylic acid | 3-dihydroxy-6-methyl-7-(phenylmethyl)-4-propylnaphthalene-1-carboxylic acid: inhibits lactate dehydrogenase A | ||
| l 783277 | |||
| Sphaeropsidin C | tricyclic diterpenoid | metabolite | |
| n'-(10h-indolo(3,2-b)quinolin-11-yl)-n,n-dimethylpropane-1,3-diamine | |||
| n-arachidonoyl l-serine | N-arachidonoyl L-serine: an endocannabinoid-like brain constituent with vasodilatory properties; structure in first source N-arachidonoyl-L-serine : An N-acyl-amino acid resulting from the formal condensation of the carboxy group of arachidonic acid with the amino group of L-serine. It is an endocannabinoid-like lipid isolated from bovine brains. | N-(fatty acyl)-L-alpha-amino acid | cannabinoid receptor agonist; mammalian metabolite; neuroprotective agent; pro-angiogenic agent; vasodilator agent |
| sclerotiamide | sclerotiamide: related to the paraherquamides; isolated from the sclerotia of Aspergillus sclerotiorum; structure given in first source | ||
| sch 442416 | SCH 442416: an adenosine A2A receptor ligand | triazolopyrimidines | |
| cytosporone b | cytosporone B: a Nur77 agonist; structure in first source | aromatic ketone | |
| s 3304 | S 3304: structure in first source | ||
| vl-0395 | VL-0395: structure in first source | ||
| xanthostigmine | xanthostigmine: structure in first source | ||
| 1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine | 1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine: a 5-HT2A receptor antagonist; structure in first source | ||
| 5,15-diphenylporphine | 5,15-diphenylporphine: structure in first source | ||
| PDGF receptor tyrosine kinase inhibitor III | PDGF receptor tyrosine kinase inhibitor III : An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| baci-im | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent | |
| ucn 1028 c | calphostin C: structure given in first source; isolated from Cladosporium cladosporioides | ||
| tasiamide b | tasiamide B: 4-amino-3-hydroxy-5-phenylpentanoic acid containing peptide from the marine cyanobacterium Symploca sp.; structure in first source | ||
| 5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one | extended flavonoid | ||
| urb602 | URB602: inhibitor of 2-arachidonoylglycerol (2-AG)-deactivating enzyme, monoacylglycerol lipase, structure in first source | ||
| tafamidis | tafamidis : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis. tafamidis: may be effective in treating transthyretin amyloid polyneuropathy | 1,3-benzoxazoles; dichlorobenzene; monocarboxylic acid | central nervous system drug |
| Diosmetin 7-O-beta-D-glucopyranoside | flavonoids; glycoside | ||
| fluoxastrobin | fluoxastrobin : An oxime O-ether that is the O-methyl oxime of (2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone. A fungicide used for disease control of potatoes and a wide range of vegetables. fluoxastrobin: a fungicide | aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
| 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| Lyngbic acid | lyngbic acid: coral secondary metabolite | long-chain fatty acid | metabolite |
| acesulfame potassium | sulfuric acid derivative | ||
| (2s,3r,5r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one | steroid | ||
| montanine | montanine: has anxiolytic, antidepressant, and anticonvulsant activities | ||
| cembra-2,7,11-triene-4,6-diol | cembra-2,7,11-triene-4,6-diol : A cembrane diterpenoid obtained from tobacco and shown to have antitumour-promoting activity. cembra-2,7,11-triene-4,6-diol: isolated from tobacco; structure in first source | cembrane diterpenoid | antineoplastic agent |
| 1-phenyl-2-(1-pyrrolidinyl)-1-pentanone | alpha-pyrrolidinovalerophenone: a designer drug; structure in first source | ||
| azd 7762 | aromatic amide; thiophenes | ||
| cariprazine | cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. cariprazine: Structure in first source | ||
| cyclic diadenosine phosphate | cyclic di-AMP : A cyclic purine dinucleotide that is the 3',5'-cyclic dimer of AMP. | adenyl ribonucleotide; cyclic purine dinucleotide | Mycoplasma genitalium metabolite |
| bx 517 | BX 517: a phosphoinositide-dependent kinase-1 inhibitor; structure in first source | ||
| regorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor | |
| 4-(1-phenylethyl)resorcinol | 4-(1-phenylethyl)resorcinol: a depigmenting agent for treatment of solar lentigines; structure in first source | ||
| barettin | barettin: isolated as a Z/E mixture from sponge Geodia barretti; structure in first source | organic molecular entity | |
| flubendiamide | flubendiamide: activates ryanodine-sensitive calcium release channels in insects; structure in first source | organofluorine insecticide | ryanodine receptor modulator |
| ly3201 | LY3201: estrogen receptor beta agonist | ||
| kyp 2047 | |||
| n-benzylhexadecanamide | N-benzylhexadecanamide : A macamide resulting from the formal condensation of the carboxy group of hexadecanoic acid with benzylamine. A moderate inhibitor of fatty acid amide hydrolase. N-benzylhexadecanamide: isolated from Lepidium meyenii; structure in first source | macamide; secondary carboxamide | EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite |
| calpain inhibitor iii | calpain inhibitor III: potential anticataract drug | ||
| 4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol | 4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol: a selective estrogen receptor modulator | pyrazoles; ring assembly | |
| wp1066 | |||
| 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | methoxybenzenes; substituted aniline | ||
| 2-(4-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| ptc 124 | oxadiazole; ring assembly | ||
| n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide | N-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide: MK-0364 is the (1S,2S)-isomer; a cannabinoid-1 receptor inverse agonist; structure in first source | stilbenoid | |
| abt-737 | aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor | |
| polymyxin b(1) | |||
| uamc00039 | UAMC00039: dipeptidyl peptidase II inhibitor; structure in first source | ||
| tedizolid | DA 7157: an anti-infective agent; structure in first source tedizolid : A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. | carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles | antimicrobial agent; drug metabolite; protein synthesis inhibitor |
| brivanib | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
| mbx-8025 | seladelpar: PPAR-delta agonist | ||
| naphyrone | 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one: a monoamine uptake inhibitor; structure in first source | ||
| bms 477118 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent | |
| 3-cyano-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide | 3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide: affects mGluR5 receptors; structure in first source | ||
| zm 252868 | PD-153035 hydrochloride : A hydrochloride obtained by combining PD-153035 with one equivalent of hydrochloric acid. | hydrochloride | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
| mrs 3558 | |||
| procyanidin b1 | procyanidin B1 : A proanthocyanidin consisting of (-)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively in a beta-configuration.. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach. | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite |
| dutogliptin | |||
| abt 102 | ABT 102: a TRPV1 antagonist; structure in first source | ||
| amd 070 | mavorixafor: a derivative of AMD3100; a CXCR4 blocker | aminoquinoline | |
| sb 742457 | 3-benzenesulfonyl-8-piperazin-1-ylquinoline: a 5-HT6 receptor antagonist | ||
| ascochlorin | ascochlorin : A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (1E,3E)-3-methyl-1-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-1,3-dien-5-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by several fungi including Ascochyta viciae . It exhibits anticancer, antifungal and antiprotozoal activities. ascochlorin: structure in first source | cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid | angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite |
| cvt-6883 | 3-ethyl-1-propyl-8-(1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione: structure in first source | ||
| chlorantranilipole | chlorantranilipole: anthranilic diamide insecticide.that disrupts mating in codling moth (Lepidoptera: Tortricidae) chlorantraniliprole : A carboxamide resulting from the formal condensation of the carboxylic acid group of 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid with the primary amino group of 2-amino-5-chloro-N,3-dimethylbenzamide. The first of the anthranilic diamide insecticides, it is a ryanodine receptor activator and is used to protect a wide variety of crops, including corn, cotton, grapes, rice and potatoes. | monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide | ryanodine receptor agonist |
| mp470 | N-arylpiperazine | ||
| rgb 286638 | |||
| picoxystrobin | picoxystrobin : An enoate ester that is the methyl ester of (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid. A cereal fungicide used to control a wide range of diseases including brown rust, tan spot, powdery mildew and net blotch. picoxystrobin: a fungicide | aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
| cenicriviroc | cenicriviroc : A member of the class of benzazocines that is (5Z)-1,2,3,4-tetrahydro-1-benzazocine which is substituted by a 2-methylpropyl, N-{4-[(S)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}carboxamide and 4-(2-butoxyethoxy)phenyl groups at positions 1, 5 and 8, respectively. It is a potent chemokine 2 and 5 receptor antagonist currently in development for the treatment of liver fibrosis in adults with nonalcoholic steatohepatitis (NASH). cenicriviroc: an inhibitor of HIV-1 | aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide | anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist |
| mb 05032 | |||
| N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide | N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide : A hydroxamic acid that is N-hydroxy-D-valinamide in which the alpha-amino group has been substituted by isopropoxy and [biphenyl]-4-ylsulfonyl groups. A selective matrix metalloproteinase-2 (MMP-2) inhibitor, it is one of the most potent inducers of autophagy. Its physiological roles include angiogenesis, cancer metastasis, embryogenesis, tissue remodeling in development, and wound healing. | D-valine derivative; hydroxamic acid | antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor |
| bms-566394 | BMS-566394: structure in first source | ||
| pirarubicin | anthracycline | ||
| 5-hydroxy-2-n,n-dipropylaminotetralin, (s)-isomer | |||
| Xanthoangelol D | chalcones | ||
| topramezone | topramezone : An aromatic ketone that is phenyl 1H-pyrazol-4-yl ketone in which the pyrazolyl group is substituted at positions 1 and 5 by methyl and hydroxy groups, respectively, and in which the phenyl group is substituted at positions 2, 3, and 4 by methyl, 4,5-dihydro-1,2-oxazol-3-yl, and methylsulfonyl groups, respectively. A potent inhibitor of 4-hydroxyphenylpyruvate dioxygenase (HPPD) that is rapily metabolised by corn to non-active substances, it is used as a herbicide for the treatment of broadleaf weeds. topramezone: corn herbicide, an inhibitor of 4-hydroxyphenylpyruvate dioxygenase; structure in first source | ||
| np 031112 | tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. tideglusib: an NSAID and neuroprotective agent | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| pf 514273 | 2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo(3,4-f)(1,4)oxazepin-8(5H)-one: putative anti-obesity agent; structure in first source | ||
| ki 8751 | N-(2,4-difluorophenyl)-N'-(4-((6,7-dimethoxy-4-quinolyl)oxy)-2-fluorophenyl)urea: structure in first source | aromatic ether | |
| bms-626529 | |||
| pd 0305970 | |||
| nu 7441 | 8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first source | dibenzothiophenes | |
| at 7519 | 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| jnj 17203212 | |||
| marizomib | marizomib: a proteasome inhibitor from a marine bacterium Salinospora; structure in first source | beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide | antineoplastic agent; proteasome inhibitor |
| bms-690514 | |||
| bi 2536 | |||
| N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide | (trifluoromethyl)benzenes | ||
| lipocrine | lipocrine: anti-Alzheimer's drug; structure in first source | ||
| trihexyltetradecylphosphonium chloride | trihexyltetradecylphosphonium chloride: structure in first source | ||
| adx 47273 | |||
| inno-406 | biaryl | ||
| ks370g | KS370G: antihyperglycemic; structure in first source | ||
| cannabidiol hydroxyquinone | cannabidiol hydroxyquinone: structure given in first source; an air oxidation product of cannabidiol; inhibits the hepatic microsomal drug-metabolizing enzymes of mice through the decrease of cytochrome P-450 content; RN given refers to (1R-trans)-isomer | prenylquinone | |
| compound 26 | |||
| (5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine | (5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine: KR-32570 possesses potent cardioprotective effects in perfused rat hearts, and its effects may be mediated by inhibition of NHE-1, preservation of high-energy phosphates, and inhibition of lipid peroxidation | ||
| pochonin d | pochonin D: secondary metabolite of Pochonia chlamydosporia; structure in first source | ||
| nvp-ast487 | NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells | ||
| verubulin | verubulin: antineoplastic; a small-molecule inhibitor of microtubule formation that is not a substrate for multidrug resistance pumps; structure in first source | ||
| adl 5859 | |||
| a 784168 | 1-(3-(trifluoromethyl)pyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide: a TRPV1 antagonist | ||
| Dihydrotanshinone I | dihydrotanshinone I: extracted from Radix Salviae | abietane diterpenoid | anticoronaviral agent |
| 6-hydroxy-7-methoxychroman-2-carboxylic acid phenylamide | 6-hydroxy-7-methoxychroman-2-carboxylic acid phenylamide: structure in first souce | ||
| kw 2449 | KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source | ||
| naluzotan | naluzotan: an antidepressant and anti-anxiety agent; structure in first source | ||
| nutlin-3a | nutlin 3: an MDM2 antagonist; structure in first source | stilbenoid | |
| basimglurant | |||
| danusertib | piperazines | ||
| alogliptin | alogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. alogliptin: structure in first source | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
| zampanolide | zampanolide: structure in first source | ||
| N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide | benzamides | ||
| rpr260243 | RPR260243: small molecule activator of the human ether-a-go-go-related gene (HERG) cardiac K+ channel; structure in first source | ||
| N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide | benzamides | ||
| nvp-aew541 | |||
| pg 01037 | |||
| lt175 | |||
| abt 869 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| azd 8931 | sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. | aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
| mk-9470 | MK-9470: Radiopharmaceutical; for gender-dependent increases with healthy aging of the human cerebral cannabinoid-type 1 receptor binding PET | ||
| 5-(2,2-difluorobenzo(1,3)dioxol-5-ylmethylene)thiazolidine-2,4-dione | 5-(2,2-difluorobenzo(1,3)dioxol-5-ylmethylene)thiazolidine-2,4-dione: a PI3Kgamma inhibitor; structure in first source | ||
| fr 180204 | FR 180204: structure in first source | pyrazoles; ring assembly | |
| arq 197 | indoles | ||
| azd 1152 | AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
| bay94 9172 | florbetaben ((18)F) : A member of the class of stilbenoids in which the para-hydrogens of stilbene are replaced by methylamino and 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy) groups. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. | (18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline | radioactive imaging agent |
| lbw242 | LBW242: proapoptotic IAP inhibitor; low MW Smac (Second mitochondria-derived activator of caspases) mimetic; structure in first source | ||
| olodaterol | aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent | |
| ly2183240 | LY2183240: structure in first source | biphenyls | |
| pf 00299804 | dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. dacomitinib: a pan-ERBB inhibitor | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| MI-63 | MI-63 : An azaspiro compound resulting from the formal fusion of position 3 of 6-chloro-oxindole with position 3 of (2R,3SS5S)-3-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]pyrrolidine-2-carboxamide. It is a potent inhibitor of the MDM2-p53 interaction. | azaspiro compound; monochlorobenzenes; monofluorobenzenes; morpholines; oxindoles; pyrrolidines; secondary carboxamide | apoptosis inducer |
| alisporivir | alisporivir: nonimmunosuppressive cyclosporin analog; structure/sequence in first source | homodetic cyclic peptide | anticoronaviral agent |
| methylphenidate | N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide: a fatty acid amide hydrolase inhibitor; structure in first source | ||
| gosogliptin | amino acid amide | ||
| ec 144 | EC 144: structure in first source | ||
| azd2932 | AZD2932: structure in first source | ||
| snap7941 | SNAP7941: structure in first source | ||
| ridaforolimus | macrolide lactam | ||
| vabicaserin | vabicaserin: an antipsychotic agent and 5-HT2C receptor agonist; structure in first source | ||
| dorsomorphin | dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling. dorsomorphin: an AMPK inhibitor | aromatic ether; piperidines; pyrazolopyrimidine; pyridines | bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
| incb 3284 | INCB 3284: a CCR2 receptor antagonist | ||
| a 794282 | |||
| 5-hydroxy-2-(2-phenylethyl)chromone | 5-hydroxy-2-(2-phenylethyl)chromone: neuroprotective compound from rhizomes of Imperata cylindrica; structure in first source | ||
| quisinostat | indoles | ||
| ce 224,535 | CE 224,535: structure in first source | ||
| ridaifen-b | ridaifen-B: structure in first source | ||
| ch 4987655 | |||
| 6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamide | phenylpyridine | ||
| anacetrapib | |||
| carfilzomib | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor | |
| lapatinib ditosylate | quinazolines | ||
| le 404 | |||
| a-841720 | A-841720: structure in first source | ||
| lgd 2226 | |||
| 1-(4-chlorophenyl)-3-(3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl)urea | 1-(4-chlorophenyl)-3-(3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl)urea: structure in first source | ||
| e 2012 | |||
| PF-00835231 | PF-00835231 : A primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity. | aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| cortistatin a | cortistatin A : A member of the class of cortistatins that is substituted by hydroxy groups at positions 1 and 2, a dimethylamino group at the 3alpha position and an isoquinolin-7-yl group at the 17 position, with double bonds at the 9-11 and 10-19 positions (the 1R,2R,17beta enantiomer). cortistatin A: structure in first source | cortistatins; diol; secondary alcohol | |
| vialinin a | vialinin A: free radical scavenger from an edible mushroom in China; structure in first source | ||
| mk-0893 | |||
| mrk 560 | MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source | ||
| a-796260 | (1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone: structure in first source | ||
| gw9508 | GW9508: structure in first source | aromatic amine | |
| glabrol | glabrol: from Glycyrrhiza glabra hairy root; structure in first source | flavanones | |
| cc-930 | |||
| 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine : A pyrazolylpiperidine that consists of 4-(pyrazol-1-yl)piperidine carrying a 2-amino-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-5-yl group at the 4-position of the pyrazole ring. rac-crizotinib : A racemate comprising equimolar amounts of (R)- and (S)-crizotinib. The active (R)-enantiomer acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer. | aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| cannabidivarin | cannabidivarin: from Cannabis sativa | monoterpenoid | |
| digeranyl bisphosphonate | digeranyl bisphosphonate: structure in first source | ||
| col-144 | lasmiditan: a high-affinity, highly selective serotonin 5-HT(1F) receptor agonist; structure in first source | ||
| nsc-287088 | |||
| gw 2580 | 5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source | ||
| tozadenant | tozadenant: an adenosine A2A receptor antagonist | benzothiazoles | |
| tak 285 | N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source | ||
| l-beta-threo-benzyl-aspartate | L-beta-threo-benzyl-aspartate: structure in first source | ||
| milnacipran | acetamides | ||
| lassbio-579 | LASSBio-579: structure in first source | ||
| incb3619 | INCB3619: ADAM inhibitor; structure in first source | ||
| idelalisib | idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| nebivolol hydrochloride | (R,S,S,S)-nebivolol hydrochloride : A hydrochloride obtained by reaction of (R,S,S,S)-nebivolol with one equivalent of hydrochloric acid. nebivolol hydrochloride : A racemate consisting of equal amounts of (R,S,S,S)- and (S,R,R,R)-nebivolol hydrochloride. A cardioselective beta-blocker, it has vasodilatory activity but lacks intrinsic sympathomimetic and membrane-stabilising activity. It is used as the hydrochloride salt for the management of hypertension, and as an adjunct to standard therapy in elderly patients with stable chronic heart failure. | hydrochloride | |
| crizotinib | crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC) Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER. | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile | benzimidazoles | ||
| atl 313 | ATL 313: A2A adenosine receptor agonist | ||
| as 252424 | 5-(5-(4-fluoro-2-hydroxyphenyl)furan-2-ylmethylene)thiazolidine-2,4-dione: a PI3K gamma inhibitor; structure in first source | ||
| 4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide | Vx-11e: ERK1-2 inhibitor | aromatic amide; heteroarene | |
| liphagal | liphagal : A meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase. liphagal: selective inhibitor of PI3 kinase alpha isolated from the sponge akacoralliphaga; structure in first source | aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite |
| osi 906 | cyclobutanes; quinolines | ||
| cgp 57380 | CGP 57380: inhibits the mitogen-activated protein kinase-interacting kinase Mnk1 | pyrazolopyrimidine | |
| ro 4956371 | 2-chloro-4-((2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine: a metabotropic glutamate receptor 5 antagonist; structure in first source | ||
| zstk474 | ZSTK-474 : A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase. | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| 2,4,3',5'-tetrahydroxystilbene | oleocanthal : A carboxylic ester that is the 2-(p-hydroxyphenyl)ethyl ester of (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid. Oleocanthal is found in olive oil but it is not clear whether the natural product is a mixture of E/Z isomers or a single isomer as the two isomers readily interconvert in solution; most pharmacological studies will have been performed using a mixture. oleocanthal: newly pressed extra-virgin olive oil contains oleocanthal, acting as a natural anti-inflammatory compound that has a potency and profile strikingly similar to that of ibuprofen; structure in first source | ||
| 4-cyano-N-[4-(4-methyl-1-piperazinyl)-2-(4-methyl-1-piperidinyl)phenyl]-1H-pyrrole-2-carboxamide | aromatic amide | ||
| chir-265 | aromatic ether | ||
| dov 21947 | |||
| lorcaserin | lorcaserin : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine substituted at position 1 by a methyl group and a t position 6 by a chloro group. lorcaserin: orally active, small-molecule 5-hydroxytryptamine 2C agonist for the potential treatment of obesity and diabetes | benzazepine; organochlorine compound | anti-obesity agent; appetite depressant |
| trifloxystrobin | methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor | |
| motesanib | pyridinecarboxamide | ||
| fostamatinib | fostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406 | ||
| a-438079 | |||
| chromazonarol | |||
| in 1130 | 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methyl)benzamide: an activin receptor-like kinase-5 inhibitor; structure in first source | ||
| az-628 | AZ-628: a multikinase inhibitor; structure in first source | benzamides | |
| jnj 28312141 | |||
| 4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine | PF-670462 free base : A member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon). | aminopyrimidine; imidazoles; monofluorobenzenes | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| psb 36 | 1-butyl-8-(3-noradamantyl)-3-(3-hydroxypropyl)xanthine: an A1 receptor antagonist | oxopurine | |
| mk-0249 | MK-0249: a histamine-3 receptor inverse agonist; structure in first source | ||
| resatorvid | |||
| trametinib | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector | |
| mln8054 | benzazepine | ||
| pf-562,271 | indoles | ||
| pha 767491 | PHA 767491: a Cdc7 inhibitor; structure in first source | pyrrolopyridine | |
| GDC-0879 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor | |
| 2-(2,6-diisopropylphenyl)-5-hydroxy-1h-isoindole-1,3-dione | 2-(2,6-diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione: structure in first source | ||
| tyropeptin a | tyropeptin A: proteasome inhibitors produced by Kitasatospora sp. MK993-dF2; structure in first source | dipeptide | |
| 2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine | 2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine: structure in first source | ||
| abexinostat | abexinostat: structure in first source | benzofurans | |
| pha 680626 | |||
| N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide | ureas | ||
| 3-hydroxyphloretin | 3-hydroxyphloretin: compound from Formosan apple that reduces tyrosinase activity in human epidermal melanocytes; structure in first source | chalcones | |
| y134 compound | Y134 compound: a selective estrogen receptor modulator derived from raloxifene; structure in first source | aromatic ketone | |
| gsk598809 | GSK598809: a dopamine D3 receptor antagonist | ||
| granite | granite: crystalline rock of quartz, orthoclase, muscovite & biotite | triazolopyrimidines | |
| silvestrol | silvestrol : An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity. silvestrol: isolated from the fruit and twig of Aglaia silvestris | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
| lj 529 | |||
| td-5108 | TD-5108: a selective 5-HT(4) receptor agonist with high intrinsic activity; structure in first source | ||
| N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) ester | piperazines | ||
| snx-7081 | SNX-7081: Anti-Inflammatory Agent; structure in first source | ||
| 6-o-coumaroylcatalpol | cinnamate ester | ||
| N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamide | organonitrogen compound; organooxygen compound | ||
| teneligliptin | amino acid amide | ||
| jnj-26483327 | JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010 | ||
| moxestrol | moxestrol: RN given refers to (11beta,17alpha)-isomer; structure | 3-hydroxy steroid | |
| thiethylperazine malate | |||
| at 13387 | (2,4-dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone: structure in first source onalespib : A member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor. | benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide | antineoplastic agent; Hsp90 inhibitor |
| ly2603618 | ureas | ||
| 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolamine | pyrazoles; ring assembly | ||
| 6-fluoronorepinephrine monohydrochloride, (+-)-isomer | |||
| b 015 | |||
| calcimycin | Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems. | benzoxazole | |
| Dihydro-beta-erythroidine hydrobromide | indoles | ||
| (2R,3S)-EHNA hydrochloride | (2R,3S)-EHNA hydrochloride : A hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. | hydrochloride | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor |
| efaroxan hydrochloride | |||
| 7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide | |||
| 4-methylpyrazole monohydrochloride | |||
| alpha-methyltyrosine methyl ester, monohydrochloride | |||
| octoclothepine maleate | |||
| 2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride | |||
| 2-methoxyidazoxan hydrochloride | |||
| sk&f 77434 | N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide : A hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo. | hydrobromide | dopamine agonist; prodrug |
| wk-x-34 | WK-X-34: inhibitor of P-glycoprotein and BCRP (breast cancer resistance protein); structure in first source | ||
| N-[5-[2-(4-chloroanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamide | thiazoles | ||
| veliparib | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | |
| ku-0060648 | dibenzothiophenes | ||
| sar 1118 | lifitegrast : An N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome). lifitegrast: An LFA-1 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN-1) antagonist that is used in the treatment of DRY EYE SYNDROMES. | 1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone | anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist |
| tg100801 | |||
| dactolisib | dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| bgt226 | BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor. | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| brexpiprazole | brexpiprazole: a serotonin agent; structure in first source | N-arylpiperazine | |
| 4-cyano-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamide | 4-cyano-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide: a CB1 cannabinoid receptor radioligand for PET imaging | ||
| sch 529074 | SCH 529074: restores DNA-binding activity of mutant p53; structure in first source | ||
| sc1 compound | |||
| N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-2,4-dioxobutanamide | aromatic ketone | ||
| 1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea | organonitrogen compound; organooxygen compound | ||
| 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea | organonitrogen compound; organooxygen compound | ||
| 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea | organonitrogen compound; organooxygen compound | ||
| 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester | benzoate ester | ||
| 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide | naphthalenecarboxamide | ||
| 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazole | isoquinolines | ||
| [9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone | aromatic ketone; quinolines | ||
| 4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester | benzoate ester | ||
| azd8309 | AZD8309: CXCR2 inhibitor | ||
| arhalofenate | arhalofenate: a PPAR-gamma modulator | ||
| chidamide | benzamides | ||
| chlorhexidine hydrochloride | |||
| 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid | 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid : A pentacyclic triterpenoid that is betulinic acid carrying an additional alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa. alphitolic acid: from the aerial parts of Gouania longipetala; structure in first source | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
| azadiradione | azadiradione : A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities. azadiradione: structure in first source | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | anti-inflammatory agent; antimycobacterial drug; plant metabolite |
| (R)-Bitalin A | acetophenones | ||
| ent-dextilidine | ent-dextilidine : An ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate that has R configuration at the carbon bearing the phenyl group and S configuration at the carbon bearing the dimethylamino group. It is the enantiomer of dextilidine; the opioid analgesic tilidine is the racemate comprising equimolar amounts of dextilidine and ent-dextilidine. tilidine : A racemate that is an equimolar mixture of the two trans diastereoisomers of ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate, namely dextilidine and ent-dextilidine. It is used (commonly as the hydrochloride hemihydrate) as an opioid analgesic for the management of moderate to severe pain. A prodrug, it is metabolised in the body to nortilidine, which is responsible for the analgesic activity; virtually all of the opioid activity resides in the (1S,2R) isomer. Tilidine: An opioid analgesic used similarly to MORPHINE in the control of moderate to severe pain. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1097) | ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate | |
| 2,5-dimethoxy-4-bromoamphetamine, (r)-isomer | |||
| octoclothepine, (s)-isomer | |||
| helicide | helicide: structure given in first source | glycoside | |
| erythrosine | erythrosin B : An organic sodium salt that is the disodium salt of 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydroxanthen-9-yl)benzoic acid. Erythrosine: A tetraiodofluorescein used as a red coloring in some foods (cherries, fish), as a disclosure of DENTAL PLAQUE, and as a stain of some cell types. It has structural similarity to THYROXINE. | ||
| 1-deoxynojirimycin hydrochloride | |||
| 2-(3-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| beta-3-oxindolylalanine | beta-3-oxindolylalanine: main intermediate in tryptophan degration occurring in acid hydrolysis of protein | ||
| SYC-435 | SYC-435 : A cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and benzyl groups, respectively. It is a potent inhibitor of mutant isocitrate dehydrogenase 1 (Ki values of 190 nM against R132H mutant and 120 nM against R132C mutant). | benzenes; cyclic hydroxamic acid; pyridone | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| hc toxin | |||
| 4-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | sulfonamide | ||
| ganodermadiol | ganodermadiol: isolated from Ganoderma lucidum; structure given in first source ganoderol B : A tetracyclic triterpenoid that is lanosta-7,9(11),24-triene which is substituted by hydroxy groups at positions 3 and 27. It has been isolated from several Ganoderma species. | 3beta-sterol; primary allylic alcohol; tetracyclic triterpenoid | antiviral agent; fungal metabolite; hepatoprotective agent |
| ci 959 | CI 959: antiallergy compound; inhibits thromboxanes | ||
| odoratin | odoratin: structure; RN given refers to cpd without isomeric designation | ||
| cladosporin | cladosporin: antifungal metabolite from Cladosporium cladosporioides; toxic, minor metabolite of Aspersillus flavus; inhibits tRNA synthetase in Plasmodium falciparum | ||
| lucidenic acid a | lucidenic acid A: isolated from fruiting bodies of Ganoderma lucidum; structure in first source | triterpenoid | |
| 2',3'-dihydroxy-4',6'-dimethoxychalcone | 2',3'-dihydroxy-4',6'-dimethoxychalcone: from the leaves of green perilla (Perilla frutescens var. crispa f. viridis); structure in first source | ||
| dehydrocurvularin | macrolide | ||
| hypocrellin a | hypocrellin A: isolated from fungus Hypocrella bambusae sacc | ||
| decominol hydrochloride | |||
| 4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester | methoxybenzoic acid | ||
| omdm 169 | OMDM 169: has antinociceptive activity; structure in first source | ||
| tosedostat | carboxylic ester; hydroxamic acid; secondary carboxamide | ||
| 3,6-diamino-10-methylacridinium chloride hydrochloride | 3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. | hydrochloride | antibacterial agent; antiseptic drug; carcinogenic agent; intercalator |
| lantadene b | lantadene B: RN given refers to the (22beta)-isomer; from Lantana camara | ||
| mitragynine | speciogynine: structure in first source | ||
| dehydroabietinol | dehydroabietinol: Isolated from Hyptis suaveolens; structure in first source | abietane diterpenoid; carbotricyclic compound | |
| n-trans-p-coumaroyl-l-tyrosine | N-trans-p-coumaroyl-L-tyrosine: from Theobroma cacao; structure in first source | tyrosine derivative | |
| parecoxib sodium | |||
| adenosine monophosphate | adenosine 5'-monophosphate(2-) : A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of adenosine 5'-monophosphate (AMP). | nucleoside 5'-monophosphate(2-) | cofactor; fundamental metabolite; human metabolite |
| 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide | C-nitro compound | ||
| 3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide | pyrazoles; ring assembly | ||
| xr 9577 | |||
| vizamyl | flutemetamol ((18)F) : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by 3-((18)F)fluoro-4-(methylamino)phenyl and hydroxy groups at positions 3 and 6 respectively. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. | (18)F radiopharmaceutical; aromatic amine; benzothiazoles; secondary amino compound | radioactive imaging agent |
| mdv 3100 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent | |
| af 353 | 5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine: a P2X3 and P2X2/3 receptor antagonist; structure in first source | ||
| ku 60019 | |||
| gs-9148 | GS-9148: anti-HiV; structure in first source | ||
| Benzotriazol-1-yl 1H-indole-5-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| mgl-3196 | resmetirom: a thyroid hormone receptor-beta agonist | ||
| gsk 461364 | GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | (trifluoromethyl)benzenes | |
| trelagliptin | trelagliptin: a dipeptidyl peptidase IV inhibitor | benzenes; nitrile | |
| n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine | N-(3-fluorophenyl)-1-((4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine: a small molecule motilin receptor agonist; structure in first source | acetamides | |
| 3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide | quinazolines | ||
| 2-(2-methoxyanilino)-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | N-acylpiperidine | ||
| vu0092273 | VU0092273: mGlu(5) positive allosteric modulator | ||
| amg 517 | |||
| azd 1152-hqpa | AZD2811: has antineoplastic activity; structure in first source | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
| 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)thio]-N-(3-methoxypropyl)acetamide | acridines | ||
| 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(phenylmethyl)propanamide | pyrazoles; ring assembly | ||
| 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| CDN1163 | CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA). CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source | aromatic ether; quinolines; secondary carboxamide | SERCA activator |
| 4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(phenylmethyl)butanamide | benzoxazine | ||
| N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | sulfonamide | ||
| [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone | piperazines | ||
| 3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamide | anilide | ||
| 3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide | anilide | ||
| 3,5-dimethoxy-N-[1-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide | quinolines | ||
| [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone | piperazines | ||
| nvp-tae684 | piperidines | ||
| 4-(4-(3-adamantan-1-ylureido)cyclohexyloxy)benzoic acid | |||
| a 803467 | A 803467: an Nav1.8 sodium channel blocker; structure in first source | ||
| enmd 2076 | ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities | ||
| N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinamine | quinazolines | ||
| amodiaquine hydrochloride | |||
| clindamycin hydrochloride | S-glycosyl compound | ||
| 2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide | aminopyrimidine; benzamides | protein kinase inhibitor | |
| 3-[2-(4-fluorophenyl)-5-tetrazolyl]-2-methoxypyridine | tetrazoles | ||
| mf63 compound | MF63 compound: a phenanthrene imidazole identified as a potent, selective, and orally active mPGES-1 inhibitor; structure in first source | ||
| 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide | 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source | ||
| azumamide e | azumamide E: a natural cyclic tetrapeptide isolated from marine sponge Mycale izuensis; histone deacetylase inhibitor; structure in first source | ||
| gsk 269962a | |||
| sb 772077-b | |||
| subamolide a | subamolide A: cytotoxic constituent of the stems of Cinnamomum subavenium; structure in first source | ||
| e 7050 | aromatic ether | ||
| feruloyldopamine | feruloyldopamine: a dopamine metabolite isolated from tomatoes after infection by Pseudomonas syringae; structure in first source | ||
| bms 309403 | |||
| 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone | pyrazolopyridine | ||
| tak-901 | |||
| teicoplanin | teicoplanin A2-1 : A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group. | ||
| tannins | gallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). | tannin | |
| complestatin | chloropeptin II : A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. complestatin: compound extracted from Streptomyces lavendulae mycelia; on acid hydrolysis yields D-4-hydroxyphenylglycine & D-3,5-dichloro-4-hydroxyphenylglycine & acidic chromophore; inhibits gp120-CD4 binding isocomplestatin : A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. | cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol | anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite |
| r18 peptide | R18 peptide: a 20-mer peptide, derived from a phage library, that binds 14-3-3 tau protein; amino acid sequence in first source | ||
| N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamide | dimethoxybenzene | ||
| 1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(3-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea | quinolines | ||
| [1-(2-benzofuranylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol | piperidines | ||
| N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide | organonitrogen compound; organooxygen compound | ||
| 2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenol | aromatic amine | ||
| (2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester | 1-benzothiophenes | ||
| 5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate | carboxylic ester | anticoronaviral agent | |
| (5-Chloropyridin-3-yl) 1H-indole-5-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| 5-Chloropyridin-3-yl 1H-indole-2-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| guttiferone k | guttiferone K: antiproliferative compound of Rheedia calcicola from the Madagascar rain forest; structure in first source | ||
| gdc-0973 | cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. cobimetinib: has antineoplastic activity; structure in first source | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| [5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
| amikacin | |||
| buparlisib | NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| azd 1480 | |||
| famitinib | famitinib: structure in first source | ||
| azd8330 | pyridinecarboxamide | ||
| xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside | O-acyl carbohydrate | ||
| (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine | benzenes | ||
| (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine | (trifluoromethyl)benzenes | ||
| phenylmercuric acetate | Phenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide. | arylmercury compound; benzenes | |
| dibutyltin dilaurate | dibutyltin dilaurate: used in prevention of parasitic dieases in cattle and sheep | ||
| dibutyltin diacetate | |||
| bis(tri-n-butyltin)oxide | bis(tri-n-butyltin)oxide: RN given refers to parent cpd; RN in Chemline for tributylin: 688-73-3 | inorganic molecular entity | |
| phentin acetate | fentin acetate : An organotin compound that is the O-acetyl derivative of triphenyltin hydroxide. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans. phentin acetate: see also triphenyltin hydroxide.; structure | acetate ester; organotin compound | antifungal agrochemical |
| tri-n-butylstannylmethacrylate | |||
| thimerosal | thimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate. | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
| pha 848125 | N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor | ||
| ro5126766 | CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. RO5126766: a dual MEK/RAF kinase inhibitor | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| pevonedistat | pevonedistat : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes. pevonedistat: a potent and selective inhibitor of NAE (NEDD8-activating enzyme) | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
| tg101209 | N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
| fedratinib | fedratinib: a selective small-molecule inhibitor of JAK2 | sulfonamide | |
| bms 687453 | |||
| gsk690693 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | |
| WAY-316606 | WAY-316606 : A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1). | (trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone | secreted frizzled-related protein 1 inhibitor |
| way 252623 | 2-(2-chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole: a partial LXR agonist | ||
| cnf 2024 | 2-aminopurines; aromatic ether; organochlorine compound; pyridines | antineoplastic agent; Hsp90 inhibitor | |
| ku 0063794 | Ku 0063794: an mTOR inhibitor; structure in first source | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
| sp 203 | 3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source | ||
| ipratropium bromide | ipratropium bromide hydrate : The monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma. | ||
| 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene | 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source | ||
| N-[3-[2-(4-chloroanilino)-4-thiazolyl]phenyl]-3-(trifluoromethyl)benzamide | benzamides | ||
| 2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-thiazolecarboxamide | benzamides | ||
| (3R)-7-phenyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]-3a,6,7,7a-tetrahydro-3H-isoindol-1-one | pyrrolidines | ||
| (3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one | pyrrolidines | ||
| 2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester | aromatic amide; tert-butyl ester | ||
| N4-(4-methoxyphenyl)-N5-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide | aromatic amide | ||
| nvp-bhg712 | benzamides | ||
| ns 11394 | 3'-(5-(1-hydroxy-1-methylethyl)benzoimidazol-1-yl)biphenyl-2-carbonitrile: an anxiolytic agent; structure in first source | ||
| azd5438 | sulfonamide | ||
| 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide | biphenyls | ||
| nutlin-3b | Nutlin; piperazinone | anticoronaviral agent | |
| endiandrin a | endiandrin A: a potent glucocorticoid receptor binder isolated from the Australian plant Endiandra anthropophagorum; structure in first source | ||
| t-tucb | |||
| amg 1 | aromatic amide | ||
| zm323881 | ZM323881: inhibitor of vascular endothelial growth factor-receptor-2 tyrosine kinase activity; structure in first source | aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline | vascular endothelial growth factor receptor antagonist |
| (e)-3-(2,3,4,5-tetrabromophenyl)acrylic acid | (E)-3-(2,3,4,5-tetrabromophenyl)acrylic acid: casein kinase II inhibitor | ||
| mk 0571 | |||
| valproate sodium | Epilim: oral sodium valproate used as antidepressive agent sodium valproate : The sodium salt of valproic acid. valproate : A branched-chain saturated fatty acid anion that is the conjugate base of valproic acid. | organic sodium salt | geroprotector |
| N'-[(2-methoxyphenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide | benzoic acids | ||
| N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide | isoquinolines | ||
| 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxy-isatin | benzodioxine | anticoronaviral agent | |
| gsk 1004723 | GSK 1004723: structure in first source | ||
| mavatrep | mavatrep: a transient receptor potential vanilloid 1 antagonist; structure in first source | ||
| cct 128930 | |||
| a-836339 | A-836339: structure in first source | ||
| pf 04217903 | quinolines | ||
| kd 5170 | KD 5170: a histone deacetylase inhibitor; structure in first source | ||
| 3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile | pyrrolopyrimidine | ||
| gdc 0941 | pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| sm 164 | SM 164: a bivalent Smac mimetic with antineoplastic activity; structure in first source | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent |
| 2,3,4,10-tetrahydro-7,10-dimethyl-2,4-dioxobenzo(g)pteridine | flavin | ||
| amorfrutin a | amorfrutin A: an antidiabetic agent that inhibits NF-kappaB activation; structure in first source | stilbenoid | |
| N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide | benzothiazine | ||
| 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one | aromatic ketone | ||
| lu ae58054 | |||
| lucidenic acid n | lucidenic acid N : A tetracyclic triterpenoid that is 25,26,27-trinorlanost-8-en-24-oic acid substituted by hydroxy groups at positions 3 and 7 and oxo groups at positions 11 and 15 respectively (the 3beta,5alpha,7beta stereoisomer). Isolated from the fruiting bodies of Ganoderma lucidum, it exhibits cytotoxicity against tumour cells. lucidenic acid N: from the dried fruiting bodies of Ganoderma lucidum (polyporaceae); structure in first source | cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid | antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
| cedrelone | cedrelone: from Toona ciliata; structure in first source | limonoid | |
| achalensolide | achalensolide: structure in first source | ||
| 23-hydroxybetulinic acid | 23-hydroxybetulinic acid: structure in first source | triterpenoid | metabolite |
| v 2006 | 3-(4-amino-3-methylbenzyl)-7-(2-furyl)-3H-(1,2,3)triazolo(4,5-d)pyrimidine-5-amine: antiparkinson agent; structure in first source | ||
| icotinib | |||
| ph 797804 | PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. PH 797804: an NSAID; structure in first source | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| lu aa33810 | |||
| pha 408 | PHA 408: an IKK-2 antagonist; structure in first source | ||
| 5-fluoro-2-phenyl-1,2-benzothiazol-3-one | benzothiazoles | ||
| 2-(2-fluorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 2-(4-fluorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| mrk-409 | MRK-409: GABA-A Receptor Agonists; structure in first source | ||
| ganoderic acid f | ganoderic acid F: isolated from Ganoderma lucidum; structure in first source | triterpenoid | |
| 4-amino-8-(2-fluoro-6-methoxy-phenyl)-n-propylcinnoline-3-carboxamide | 4-amino-8-(2-fluoro-6-methoxy-phenyl)-N-propylcinnoline-3-carboxamide: a GABA(A) alpha2,3 receptor modulator; structure in first source | ||
| 3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | acetamides | ||
| cefpodoxime | 4-(6-methoxy-2-naphthyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole: a Tie2 kinase inhibitor with antineoplastic activity | imidazoles | |
| 4-amino-8-(2,5-dimethoxyphenyl)-n-propylcinnoline-3-carboxamide | |||
| gsk 1016790a | GSK1016790A : A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. | 1-benzothiophenes; aromatic primary alcohol; dichlorobenzene; N-acylpiperazine; sulfonamide; tertiary carboxamide | TRPV4 agonist |
| yil 781 | YIL 781: an appetite suppressant and weight loss promoter; structure in first source | ||
| 4-[2-[(6-chloro-4-quinazolinyl)amino]ethyl]phenol | quinazolines | ||
| kx-01 | |||
| a 867744 | 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide: positive modulator of alpha7 nicotinic acetylcholine receptor; structure in first source | ||
| azd3988 | AZD3988: for treatment of obesity and diabetes; structure in first source | ||
| tegobuvir | tegobuvir: a non-structural protein 5B polymerase inhibitor | ||
| gsk1482160 | |||
| tazobactam sodium | tazobactam sodium : An organic sodium salt having tazobactam(1-) as the counterion; used in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections. | organic sodium salt | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
| cilastatin sodium | cilastatin sodium : The monosodium salt of cilastatin. It is an inhibitor of dehydropeptidase I (membrane dipeptidase, 3.4.13.19), an enzyme found in the brush border of renal tubes and responsible for degrading the antibiotic imipenem. Cilastatin sodium is therefore administered with imipenem to prolong the antibacterial effect of the latter by preventing its renal metabolism to microbiologically inactive and potentially nephrotoxic products. | organic sodium salt | EC 3.4.13.19 (membrane dipeptidase) inhibitor; protease inhibitor |
| potassium aminobenzoate | |||
| u 63557a | |||
| meclofenamate sodium anhydrous | sodium meclofenamate monohydrate : A hydrate that is the monohydrate of the sodium salt of meclofenamic acid. It is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. | hydrate | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
| sri 62320 | (3R,5S)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3R,5S)-fluvastatin by a sodium ion. SRI 62320: structure given in first source | organic sodium salt; statin (synthetic) | |
| cerivastatin sodium | cerivastatin sodium : The sodium salt of cerivastatin. Formerly used to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity. | organic sodium salt; statin (synthetic) | |
| montelukast sodium | organic sodium salt | ||
| sodium tetradecyl sulfate | |||
| cytomel | liothyronine sodium : The sodium salt of liothyronine. Thought to be more active than levothyroxine and with a rapid (few hours) onset and short duration of action, liothyronine sodium is used in the treatment of hypothyroidism, particularly in cases of hypothyroid coma. | organic sodium salt | |
| sodium lactate | sodium lactate : An organic sodium salt having lactate as the counterion. Sodium Lactate: The sodium salt of racemic or inactive lactic acid. It is a hygroscopic agent used intravenously as a systemic and urinary alkalizer. | lactate salt; organic sodium salt | food acidity regulator; food preservative |
| monensin | |||
| cefoxitin sodium | organic molecular entity | ||
| sodium cholate | cholate salt; organic sodium salt | ||
| deoxycholic acid, monosodium salt | bile acid salt | ||
| dexon (fungicide), sodium salt | organic molecular entity | ||
| docusate sodium | organic sodium salt | ||
| pd 180988 | PD 180988: endothelin-A-receptor antagonist | ||
| potassium perfluorobutanesulfonate | |||
| potassium phenethicillin | organic potassium salt | ||
| cloxacillin sodium | organic sodium salt | ||
| acid blue 129 | |||
| dicloxacillin sodium | hydrate | ||
| nuclear fast red | nuclear fast red : An organic sodium salt that is the monosodium salt of 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. It forms bright red lakes with calcium and is a useful red nuclear staining lake with aluminum. nuclear fast red: structure in first source; do not confuse with nuclear fast red (basic dye) | organic sodium salt | fluorochrome; histological dye |
| methicillin sodium | hydrate | ||
| fractals | (3S,5R)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3S,5R)-fluvastatin by a sodium ion. | organic sodium salt; statin (synthetic) | |
| naproxen sodium | naproxen sodium : An organic sodium salt consisting of equimolar amounts of naproxen(1-) anions and sodium anions. | organic sodium salt | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| cortisol succinate, sodium salt | hydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na salt | organic molecular entity | |
| sodium 2,6-dichloroindophenol | organic molecular entity | ||
| salinomycin | |||
| olaparib | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | |
| meleagrin | meleagrin: low molecular weight protein found in turkey (Meleagris gallopavo) ovomucoid preparation; amino acid sequence given in first source meleagrine : An indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum. | ||
| 2,5-dimethoxy-4-bromoamphetamine, (s)-isomer | |||
| srt1460 | SRT1460: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source | ||
| srt1720 | |||
| srt2183 | SRT2183: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source | ||
| plx 4720 | PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first source | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
| 11,15>]Heptadec-14-yl]-5-hydrofuran-2-one, hydrate | cardenolide glycoside | ||
| vuf10166 | |||
| 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide | benzamides | ||
| lcl161 | 1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine | antineoplastic agent; apoptosis inducer | |
| amorfrutin b | amorfrutin B: structure in first source | ||
| pf-3893787 | PF-3893787: structure in first source | ||
| mk 5108 | aromatic ether | ||
| cx 4945 | |||
| fps-zm1 | FPS-ZM1: a neuroprotective agent and RAGE receptor antagonist; structure in first source | ||
| pci 34051 | PCI 34051: an HDAC8 inhibitor | indolecarboxamide | |
| cudc 101 | 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source | ||
| largazole | largazole: an antiproliferative agent from Symploca; structure in first source | ||
| amg 458 | 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met inhibitor; structure in first source | ||
| af-219 | Gefapixant: a P2X3 receptor antagonist | ||
| arry-614 | pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein | ||
| tak 593 | TAK 593: structure in first source | ||
| a-922500 | aromatic ketone | ||
| pf 04457845 | |||
| mln 8237 | MLN 8237: an aurora kinase A inhibitor | benzazepine | |
| tenovin-6 | tenovin-6 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide. | monocarboxylic acid amide; tertiary amino compound; thioureas | antineoplastic agent; p53 activator; Sir2 inhibitor |
| snx 2112 | SNX 2112: an orally available small molecule Hsp90 inhibitor; structure in first source | ||
| gdc 0449 | HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
| sgx 523 | aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine | c-Met tyrosine kinase inhibitor; nephrotoxic agent | |
| bms 754807 | BMS 754807: an IGR-1R kinase inhibitor; structure in first source | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| gdc-0068 | ipatasertib: an Akt kinase inhibitor; structure in first source | N-arylpiperazine | |
| N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamide | pyrazoles; ring assembly | ||
| 4-[oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinecarboxylic acid ethyl ester | benzoxazole | ||
| bms 777607 | N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first source | aromatic amide | |
| valbenazine | valbenazine: inhibits vesicular monoamine transporter 2 (VMAT2); used to treat tardive dyskinesia; structure in first source | ||
| sgi 1776 | SGI 1776: a Pim kinase inhibitor; structure in first source | imidazoles | |
| am 6701 | |||
| marinopyrrole a | (-)-marinopyrrole A : A member of the class of pyrroles that is 1'H-1,3'-bipyrrole substituted by four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moieties at positions 2 and 2'. It is isolated from Streptomyces sp.CNQ-418 and exhibits cytotoxic and antibacterial activities. marinopyrrole A: antibiotic from a marine Streptomyces sp.; structure in first source | aromatic ketone; organochlorine compound; phenols; pyrroles | antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite |
| 5-methoxy-n,n-diisopropyltryptamine monohydrochloride | |||
| ys 121 | 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid: inhibits microsomal prostaglanding E2 synthase; structure in first source | medium-chain fatty acid | |
| 4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid | carboxylic acid; piperidines | ||
| N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamide | pyrazoles; ring assembly | ||
| 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-3-isoxazolecarboxamide | methoxybenzenes | ||
| pci 32765 | ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. ibrutinib: a Btk protein inhibitor | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| florbetapir f 18 | florbetapir F-18 : An aromatic ether consisting of a pyridine ring substituted at position 2 by a 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy group and at position 5 and a 2-(4-methylaminophenyl)vinyl group. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. florbetapir: a PET agent for Abeta plaques; structure in first source | (18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline | radioactive imaging agent |
| e-55888 | |||
| ponatinib | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor | |
| 10-nitro-oleic acid | (9E)-10-nitrooctadecenoic acid : A nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10. 10-nitro-oleic acid: structure in first source | long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid | human metabolite |
| crx-526 | CRX-526: aminoalkyl-glucosaminide-phosphate; lipid A-mimetic with anti-inflammatory properties; structure in first source | ||
| amg 900 | N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source | ||
| (3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
| (3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
| (3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
| (3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl ester | organonitrogen compound; organooxygen compound | ||
| N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide | N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively. | benzamides; biphenyls; cyclopropanes; dicarboxylic acid diamide | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| mk-1775 | adavosertib: a Wee1 kinase inhibitor; structure in first source | piperazines | |
| cgi 1746 | CGI 1746: inhibits Bruton's protein kinase (Btk); structure in first source | ||
| sgi-1027 | SGI-1027: inhibits DNA methyltransferase 1; structure in first source | ||
| AMG-208 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
| sch772984 | biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide | analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | |
| ucl 2077 | benzenoid aromatic compound | ||
| tubocurarine chloride | |||
| apalutamide | |||
| quizartinib | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor | |
| azd4694 | AZD4694: an Abeta plaque neuroimaging PET radioligand; structure in first source | ||
| N-[[3-fluoro-4-[[2-(1-methyl-4-imidazolyl)-7-thieno[3,2-b]pyridinyl]oxy]anilino]-sulfanylidenemethyl]-2-phenylacetamide | thioureas | ||
| PP121 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor | |
| at13148 | |||
| 2-(1-(2-allylphenoxy)ethyl)-4,5-dihydro-1h-imidazole | 2-(1-(2-allylphenoxy)ethyl)-4,5-dihydro-1H-imidazole: an alpha2C agonist and alpha2A antagonist; structure in first source | ||
| ar 231453 | |||
| GRL-0617 | GRL-0617 : A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro). | benzamides; naphthalenes; secondary carboxamide; substituted aniline | anticoronaviral agent; protease inhibitor |
| N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | CAY10603: a HDAC6 inhibitor | carbamate ester | |
| niraparib | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide : A member of the class of indazoles that is 2H-indazole substituted by 4-(piperidin-3-yl)phenyl and aminocarbonyl groups at positions 2 and 7, respectively. It is a potent PARP1 inhibitor with IC50 of 3.2 nM. | benzenes; indazoles; piperidines; primary carboxamide | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| niraparib | niraparib : A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy. niraparib: structure in first source | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent |
| tak 733 | |||
| mk 2206 | MK 2206: a protein kinase inhibitor and antineoplastic agent | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amide | benzenes | ||
| navitoclax | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor | |
| stachyose | |||
| sns 314 | SNS 314: an aurora kinase inhibitor; structure in first source | ureas | |
| isocombretastatin a-4 | |||
| ro3280 | RO3280: inhibits polo-like kinase 1; structure in first source | ||
| jzl 184 | JZL 184: inhibits monoacylglycerol lipase; structure in first source | benzodioxoles | |
| at 406 | |||
| bi d1870 | |||
| smm-189 | SMM-189: a cannabinoid 2 receptor inverse agonist; structure in first source | ||
| lucitanib | E-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine. E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
| pf-04691502 | |||
| n-(adamantan-1-yl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydroquinoline-3-carboxamide | N-(adamantan-1-yl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydroquinoline-3-carboxamide: structure in first source | ||
| belactosin a | belactosin A: isolated from Streptomyces; structure in first source | ||
| n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis. N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| dcc-2036 | rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
| oprozomib | ONX 0912: antineoplastic; an orally active proteasome inhibitor; structure in first source | ||
| ethyl 2-amino-6-(3,5-dimethoxyphenyl)-4-(2-ethoxy-2-oxoethyl)-4h-chromene-3-carboxylate | ethyl 2-amino-6-(3,5-dimethoxyphenyl)-4-(2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate: has antineoplastic activity; structure in first source | ||
| cep 26401 | pyridazines; ring assembly | ||
| pf 3246799 | |||
| neurotensin | neurotensin, Tyr(11)-: RN given refers to parent cpd & (D)-isomer; RN for cpd without isomeric designation not avail 5/91 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
| p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe | p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe : A thirteen-membered polypeptide consisting of p-Glu, Arg, Pro, Arg, Leu, Ser, His, Lys, Gly, Pro, Met, Pro and Phe residues joined in sequence. | polypeptide | apoptosis inhibitor; human metabolite; neuroprotective agent |
| pf 998425 | |||
| thiouredopyrenetrisulfonate | N-[1-(methanesulfonyl)piperidin-4-yl]-N'-[4-(trifluoromethoxy)phenyl]urea : A phenylurea that is urea substituted by 1-(methylsulfonyl)piperidin-4-yl and 4-(trifluoromethoxy)phenyl groups at positions 1 and 3 respectively. | phenylureas | EC 3.3.2.10 (soluble epoxide hydrolase) inhibitor |
| az 960 | |||
| cabozantinib | cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. cabozantinib: a multikinase inhibitor | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
| N-(1-benzothiophen-7-ylmethyl)-2-thiophenecarboxamide | 1-benzothiophenes | ||
| N-(1-naphthalenylmethyl)-2-thiophenecarboxamide | naphthalenes | ||
| n-(4-cyanophenylmethyl)-4-(2-diphenyl)-1-piperazinehexanamide | N-(4-cyanophenylmethyl)-4-(2-diphenyl)-1-piperazinehexanamide: a 5-HT(7) receptor agonist | ||
| (5-Chloropyridin-3-yl) 1H-indole-4-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| defactinib | |||
| ly2584702 | |||
| trichostatin rk | trichostatin RK: from Streptomyces sp. RK98-A74.; structure in first source | ||
| N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide | benzamides | ||
| bs 194 | |||
| incb-018424 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
| poziotinib | HM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric cancer | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
| asp3026 | ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties. ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
| entrectinib | entrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| sch 1473759 | SCH 1473759: an antineoplastic agent and aurora inhibitor | ||
| pexidartinib | pexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT). pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| cobicistat | 1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas | P450 inhibitor | |
| cct 137690 | |||
| bms-790052 | daclatasvir : A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C. daclatasvir: an HCV NS5A inhibitor | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
| pf 3845 | PF 3845: inhibits fatty acid amide hydrolase | piperidines | |
| pf 750 | N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide: a fatty acid amide hydrolase inhibitor; structure in first source | quinolines | |
| TAK-580 | MLN 2480: brain-penetrant RAF dimer antagonist TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
| gsk 2126458 | omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors. omipalisib: inhibitor of mTOR protein | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
| gs-9451 | |||
| emd1214063 | tepotinib: MET inhibitor | ||
| gsk 1838705a | organonitrogen compound; organooxygen compound | ||
| ixazomib | ixazomib : A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. ixazomib: a proteasome inhibitor with antineoplastic activity; MLN2238 is the biologically active form of MLN9708; structure in first source | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
| cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone | cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone : A member of the class of 1,3-thiazole bearing 2-cyclopentylidenehydrazino and 4-chlorophenyl substituents at positions 2 and 4 respectively. | 1,3-thiazoles; hydrazone; monochlorobenzenes | EC 2.3.1.48 (histone acetyltransferase) inhibitor |
| ldn 193189 | LDN 193189: inhibits bone morphogenetic protein signaling | pyrimidines | |
| 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol | piperidines | ||
| jnj-40411813 | 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone: an mGlu2 receptor modulator; structure in first source | ||
| gne 477 | GNE 477: inhibits phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
| nvp-bep800 | |||
| ucph 101 | 2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: structure in first source | ||
| pf 3758309 | PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| n-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamide | N-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamide: structure in first source | ||
| gdc 0834 | |||
| N-trans-sinapoyltyramine | hydroxycinnamic acid | metabolite | |
| gdc 0980 | |||
| wye 125132 | WYE 125132: an antineoplastic agent that inhibits mTORC1 and mTORC2 | ureas | |
| azd2014 | vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source | ||
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
| pf 8380 | |||
| (+)-(7S)-sydonic acid | (+)-(7S)-sydonic acid : A sesquiterpenoid that is benzoic acid substituted by a hydroxy group at position 3 and a (2S)-2-hydroxy-6-methylheptan-2-yl group at position 4. It has been isolated from the sea fan derived fungus Aspergillus sydowii. | aromatic alcohol; monohydroxybenzoic acid; sesquiterpenoid | Aspergillus metabolite |
| 5-(4-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(4-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 8-iso-prostaglandin a2 | 8-isoprostaglandin A2: a cyclopentenone isoprostane | prostanoid | |
| LSM-27979 | pyrrolidines | ||
| plx4032 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | |
| azd7687 | AZD7687: structure in first source | ||
| a 967079 | A 967079: a TRPA1 channel antagonist; structure in first source | ||
| meiogynin a | meiogynin A: from the bark of Meiogyne cylindrocarpa; structure in first source | ||
| gsk 1363089 | GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source | aromatic ether | |
| arry-334543 | ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source | ||
| GDC-0623 | hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor | |
| INDY | INDY : A member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 muM and 0.23 muM, respectively). | benzothiazoles; enone; organic hydroxy compound | antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor |
| kin-193 | pyridopyrimidine | ||
| mk 2461 | |||
| 6-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(3-methylphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(1-methyl-5-indolyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 5-(2-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(3-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(3-fluorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(2-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(3-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrile | aryl sulfide; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine | biphenyls; thienopyrimidine | ||
| 5-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(3-thiophenyl)thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-(4-dibenzothiophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | dibenzothiophenes; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 1-[2-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone | aromatic ketone; thienopyrimidine | ||
| 5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(1-naphthalenyl)thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile | 6-aminopurines | ||
| 6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile | 6-aminopurines | ||
| 9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile | imidazoles | ||
| 4-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-dithiazolimine | organochlorine compound | ||
| 8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrile | aminoquinoline | ||
| 4-[3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | sulfonamide | ||
| 4-[3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | sulfonamide | ||
| xanthoxylol, (1r-(1alpha,3alpha,4beta,6aalpha))-isomer | |||
| debio 0932 | CUDC 305: an Hsp90 inhibitor with antineoplastic activity; structure in first source | ||
| dynole 34-2 | dynole 34-2: a dynamin inhibitor; structure in first source | ||
| bay 869766 | |||
| psb603 | PSB603: an adenosine A2B receptor antagonist | ||
| as 703026 | pyridinecarboxamide | ||
| pki 402 | PKI 402: also inhibits mammalian target of rapamycin; structure in first source | ||
| vu0361737 | |||
| pf 04929113 | |||
| ddd 85646 | DDD 85646: a trypanocidal agent for treating African sleeping sickness; structure in first source | ||
| 3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | aromatic ether | ||
| (2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one | dialkylarylamine; tertiary amino compound | ||
| N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide | ureas | ||
| sar 020106 | SAR 020106: a CHK1 inhibitor; structure in first source | ||
| baricitinib | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent | |
| nvp bvu972 | |||
| 4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | WYE-354: an mTOR inhibitor; structure in first source | carbamate ester | |
| 6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 1-(4-methoxyphenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
| 5,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
| KOM70144 | KOM70144 : A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively). | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
| pht 427 | 4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide: an antineoplastic agent; structure in first source | ||
| lyngbyastatin 3 | lyngbyastatin 3: from cyanobacteria; structure in first source | ||
| e-52862 | |||
| tas-115 | 4-(2-fluoro-4-((((2-phenylacetyl)amino)thioxomethyl)amino)phenoxy)-7-methoxy-N-methyl-6-quinolinecarboxamide: inhibits both VEGFR and MET kinase; structure in first source | ||
| grassystatin a | grassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source | ||
| (1R,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester | azabicycloalkane | ||
| madindoline a | madindoline A: inhibits interleukin-6; isolated from Streptomyces; structure in first source | ||
| centratherin | centratherin: from Eremanthus eriopus (Asteraceae); structure in first source | ||
| n-(carbamoylmethyl)-3-trifluoromethyl benzamido-4-chlorobenzyl 3-aminopyrrolidine | |||
| cort 108297 | CORT 108297: a fused-ring azadecalin | ||
| win 35,065-2 | |||
| p505-15 | |||
| dabrafenib | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor | |
| mrt67307 | MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source | aromatic amine | |
| nitd 609 | NITD 609: an antimalarial and coccidiostat; structure in first source | ||
| iwr-1 endo | IWR-1-endo : A dicarboximide having an endo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. | benzamides; bridged compound; dicarboximide; quinolines | axin stabilizer; Wnt signalling inhibitor |
| anagliptin | anagliptin: anagliptin hydrochloride salt is the active compound | amino acid amide | |
| pki 587 | gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
| bi 653048 bs h3po4 | BI 653048 BS H3PO4: structure in first source | ||
| cp 466722 | quinazolines | ||
| nms p715 | |||
| 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine | 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine: an mGluR5 antagonist; structure in first source | ||
| 19,20-epoxycytochalasin q | 19,20-epoxycytochalasin Q: from Xylaria sp.; structure in first source | ||
| voacristine | voacristine: indole alkaloid from leaves of Ervatamia coronaria; RN given for 20(S)-isomer; structure given in first source | ||
| physalin a | physalin A: an anti-inflammatory agent isolated from Physalis alkekengi var; structure in first source | physalin | |
| ml347 | ML347: an ALK2 inhibitor; structure in first source | ||
| 2,3-dihydro-3beta-O-sulfate withaferin A | 2,3-dihydro-3beta-O-sulfate withaferin A : A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
| 2-((r-5-chloro-4-methoxymethylindan-1-yl)-1h-imidazole) | |||
| 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide | 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide: a protein kinase inhibitor; structure in first source | ||
| CAY10626 | ureas | ||
| pf-04455242 | 2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine: has antidepressant activity; structure in first source | ||
| 2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine | triazoles | ||
| n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | merestinib: in phase I clinical trials (2013); structure in first source | ||
| thiopental sodium | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor | |
| 5-(2,5-difluorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| 5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| 5-(2,5-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 5-(2,5-dichlorophenyl)-N-(2,6-diethylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide | aromatic amide; furans | ||
| glucopiericidin a | glucopiericidin A: from Streptomyces pactum S48727 as co-metabolite of piericidin A(1); structure given in first source; glycoside antibiotic | ||
| 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole | 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole: an oligomer modulator | ||
| n6022 | N6022: inhibits S-nitrosoglutathione reductase; structure in first source | ||
| ur-144 | (1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone: structure in first source | ||
| pf 3644022 | |||
| ribociclib | ribociclib: inhibits both CDK4 and CDK6 | ||
| oclacitinib | |||
| yk 4-279 | YK 4-279: an antineoplastic agent that inhibits EWS-FLI1 oncoprotein; structure in first source | aromatic ketone | |
| 3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone | N-arylpiperazine | ||
| 1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thiourea | aminopyridine | ||
| 1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea | aminopyridine | ||
| pb 12 | |||
| 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone | aromatic ketone; thienopyrimidine | ||
| (E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene | (E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene : An organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups. | organobromine compound; polyphenol | fluorescent dye |
| misoprostol | |||
| [5-[4-[(5-methyl-2-furanyl)methylamino]-6-quinazolinyl]-2-furanyl]methanol | quinazolines | ||
| Mps1-IN-2 | piperidines | ||
| apatinib | apatinib: reverses multidrug resistance by inhibiting the efflux function of multiple ATP-binding cassette transporters; structure in first source | ||
| mk-8033 | 1-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source | ||
| kb-nb142-70 | kb-NB142-70: inhibitor of protein kinase D; structure in first source | ||
| mephedrone | mephedrone : An aromatic ketone that is propiophenone substituted at C-4 and at C-beta with methyl and methylamino groups respectively. It is a synthetic stimulant and entactogen drug of the amphetamine and cathinone classes. mephedrone: a beta-keto (bk) designer drug; Central Nervous System Stimulants | amphetamines; aromatic ketone; secondary amino compound | environmental contaminant; xenobiotic |
| mk-7246 | |||
| skepinone-l | skepinone-L: a dibenzosuberone-type p38 MAPK inhibitor; structure in first source | ||
| 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | sapanisertib: an mTOR inhibitor | benzoxazole | |
| 1-(4-methyl-1-piperazinyl)-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone | amino acid amide | ||
| bay 1000394 | roniciclib: an antineoplastic agent that inhibits cyclin-dependent kinases; structure in first source | ||
| bi167107 | BI167107: structure in first source | ||
| pha 793887 | piperidinecarboxamide | ||
| nps-1034 | NPS-1034: a protein kinase inhibitor that acts on MET and AXL; structure in first source | ||
| evp-6124 | |||
| azd3839 | AZD3839: a BACE1 inhibitor; structure in first source | ||
| abt-348 | ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source | ||
| mk-3102 | pyrrolopyrazole | ||
| tak-632 | TAK-632 : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively. | (trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor |
| ly2784544 | pyridazines | ||
| gsk 2334470 | GSK 2334470: a PDK1 inhibitor; structure in first source | indazoles | |
| sb 1518 | |||
| abemaciclib | |||
| [5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid | [5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid : A sulindac-based non-steroidal anti-inflammatory drug. K-80003: sulindac derivative that inhibits activation of phosphoinositide 3-kinase (PI3K) by retinoid X receptor alpha (RXRalpha) in tumor cells | organofluorine compound | non-steroidal anti-inflammatory drug |
| jzl195 | JZL195: inhibits both fatty-acid amide hydrolase 1 and monoglyceride lipase; structure in first source | ||
| gsk0660 | GSK0660: PPAR antagonist; structure in first source | sulfonamide | |
| mk-8776 | |||
| (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine | indoles | ||
| nvp-bsk805 | |||
| wzb117 | WZB117: structure in first source | ||
| gsk299423 | GSK299423: structure in first source | ||
| afuresertib | amphetamines | ||
| xmd 8-92 | XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway. | pyrimidobenzodiazepine | protein kinase inhibitor |
| lrrk2-in1 | LRRK2-IN1: inhibits leucine-rich repeat kinase 2; structure in first source | aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| gsk143 | GSK143: a Syk kinase inhibitor; structure in first source | ||
| 3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1h-imidazol-2-yl)methyl)benzamide | 3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-imidazol-2-yl)methyl)benzamide: a selective activin receptor-like kinase-5 inhibitor | ||
| pf-03882845 | |||
| chrysophaentin a | chrysophaentin A: structure in first source | ||
| gsk 1070916 | GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activity | pyrazoles; ring assembly | |
| miogadial | miogadial: responsible for hot taste of myoga, Zingiber mioga; structure in first source | ||
| abt 116 | ABT 116: a TRPV1 antagonist with analgesic activity; structure in first source | ||
| azd3514 | AZD3514: in Phase I clinical trial in patients with castrate-resistant prostate cancer (2/2013); structure in first source | ||
| N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| jq1 compound | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer | |
| rn486 | RN486: a selective Bruton's tyrosine kinase inhibitor | ||
| mpi-0479605 | MPI-0479605: an antineoplastic agent that inhibits mitotic kinase Mps1; structure in first source | ||
| jnj38877605 | quinolines | ||
| vs-5584 | VS-5584: a highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer | ||
| am6545 | AM6545: structure in first source | ||
| dinaciclib | pyrazolopyrimidine | ||
| pf-04620110 | PF-04620110: a DGAT1 inhibitor; structure in first source | ||
| etp-46321 | ETP-46321: inhibits PI3K alpha and PI3K delta; structure in first source | ||
| (5-bromo-3-pyridinyl)-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
| gdc-0152 | GDC-0152: structure in first source | ||
| ly2874455 | |||
| gsk-5498a | 2,6-difluoro-N-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide: structure in first source GSK-5498A : A member of the class of pyrazoles that is 1H-pyrazole substituted by 2-fluoro-6-(trifluoromethyl)benzyl and (2,6-difluorobenzoyl)amino groups at positions 1 and 3, respectively. It is a inhibitor of Ca(2+) release-activated Ca(2+) (CRAC) channel and inhibits the release of mast cell mediators and T-cell cytokines in human and rat preparations. | (trifluoromethyl)benzenes; difluorobenzene; pyrazoles; secondary carboxamide | calcium channel blocker |
| ML-210 | ML-210 : An N-acylpiperazine that is piperazine substituted by 5-methyl-4-nitro-1,2-oxazole-3-carbonyl and bis(4-chlorophenyl)methyl groups at positions 1 and 4, respectively. It is a glutathione peroxidase 4 (GPX4) inhibitor which induces ferroptosis in cancer cells expressing the RAS oncogene. | C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide | antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug |
| gsk2292767 | GSK2292767: inhibits phosphoinositide 3-kinase delta; structure in first source | ||
| gsk2269557 | Nemiralisib: PI3K delta - selective inhibitor | ||
| ch5164840 | CH5164840: biotin-labeled version of 17-dimethylaminoethylamino-17-demethoxygeldanamycin (17-DMAG) | ||
| ch 5132799 | CH 5132799: structure in first source | ||
| nms p937 | NMS P937: a polo-like kinase 1 inhibitor; structure in first source | ||
| AZD1979 | AZD1979 : A carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist. AZD1979: an antagonist of melanin concentrating hormone receptor 1; structure in first source | aromatic ether; azaspiro compound; carboxamide; N-acylazetidine; oxadiazole; oxaspiro compound; oxetanes | melanin-concentrating hormone receptor antagonist |
| gilteritinib | gilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| alectinib | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| longdaysin | |||
| ML240 | ML240 : A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP). | aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound | antineoplastic agent |
| glpg0634 | |||
| wms 1410 | |||
| birinapant | birinapant: a Smac mimetic with antineoplastic activity | dipeptide | |
| torin 1 | torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
| nms-p118 | NMS-P118: a PARP-1 inhibitor; structure in first source | ||
| abt-199 | venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source. | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
| lmt-28 | LMT-28: an interleukin-6 inhibitor that binds gp130; structure in first source | ||
| tubastatin a | hydroxamic acid; pyridoindole; tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor | |
| 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea | ureas | ||
| pracinostat | pracinostat : A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours. | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
| kaf156 | ganaplacide: antimalarial | ||
| epoxyazadiradione | epoxyazadiradione : A limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes. epoxyazadiradione: limonoid from neem tree Azadirachta indica; RN given for (5alpha,7alpha,13alpha,14beta,15beta,17alpha)-isomer; structure in first source | acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; insecticide; plant metabolite |
| physalin f | physalin F : A physalin with antimalarial and antitumour activities isolated from Physalis angulata. physalin F: has immunosuppressive activity; from Physalis angulata L; structure given in first source | enone; epoxy steroid; lactone; physalin | antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent |
| nimorazole | |||
| mk 5046 | |||
| n,n-diallyl-5-methoxytryptamine | N,N-diallyl-5-methoxytryptamine: structure in first source | tryptamines | |
| ipi-145 | isoquinolines | ||
| delgocitinib | delgocitinib : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan. delgocitinib: a Janus kinase inhibitor | azaspiro compound; N-acylazetidine; nitrile; pyrrolopyrimidine; tertiary amino compound; tertiary carboxamide | anti-inflammatory drug; antipsoriatic; antiseborrheic; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| encorafenib | encorafenib: a BRAF inhibitor | ||
| bms-911543 | N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source | ||
| vu0409106 | VU0409106: a metabotropic glutamate receptor 5 antagonist; structure in first source | ||
| DMH1 | DMH1 : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine bearing quinolin-4-yl and 4-isopropyloxyphenyl substituents at positions 3 and 6 respectively. | aromatic ether; pyrazolopyrimidine; quinolines | antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor |
| ve 821 | 3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide: an antineoplastic agent; structure in first source | aromatic amide | |
| gdc-0032 | |||
| pf-4989216 | PF-4989216: inhibits phosphatidylinositol 3-kinase; structure in first source | ||
| spautin-1 | |||
| azd4547 | benzamides; N-arylpiperazine; pyrazoles | fibroblast growth factor receptor antagonist | |
| gsk2141795 | GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source | ||
| butyrolactone i | butyrolactone I: selective inhibitor of cdk2 & cdc2 kinase; structure given in first source | butenolide | |
| methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1h-indole-2-carboxylate | methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylate: inhibits lactate dehydrogenase A; structure in first source | ||
| torin 2 | torin 2 : A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
| sphaeropsidin a | sphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first source | gamma-lactone | metabolite |
| pf-4708671 | |||
| azd8186 | |||
| hs-173 | |||
| 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | BGJ-398 : A member of the class of phenylureas that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-dichloro-3,5-dimethoxyphenyl group, while the hydrogens attached to the other nitrogen are replaced by a methyl group and a 6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl group. It is a potent and selective fibroblast growth factor receptor inhibitor. infigratinib: structure in first source | aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas | antineoplastic agent; fibroblast growth factor receptor antagonist |
| sr1664 | indolecarboxamide | ||
| nvp-cgm097 | NVP-CGM097: an MDM2 and HDM2 inhibitor; structure in first source | ||
| bix 02565 | |||
| 5-((1-(2,6-dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine | 5-((1-(2,6-dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine: inhibits DcpS protein | ||
| n-dodecyl-l-lysine amide | |||
| n-cyclobutyl-6-((3-fluorophenyl)ethynyl)nicotinamide | N-cyclobutyl-6-((3-fluorophenyl)ethynyl)nicotinamide: an mGlu5 agonist; structure in first source | ||
| phosphomannopentaose sulfate | phosphomannopentaose sulfate: structure in first source | ||
| a-839977 | A-839977: a selective P2X7 receptor antagonist, analgesic; structure in first source | ||
| cx 5011 | |||
| acy-1215 | ricolinostat: an HDAC6 inhibitor; structure in first source | pyrimidinecarboxylic acid | |
| pf 956980 | PF 956980: structure in first source PF-956980 : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe. | N-acylpiperidine; N-acylpyrrolidine; pyrrolopyrimidine; tertiary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| (r)-n-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide | (R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide: structure in first source | ||
| tak-960 | 4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide: a polo-like kinase 1 inhibitor; structure in first source | ||
| rg7388 | RG7388: structure in first source | ||
| ml276 | |||
| ass234 | |||
| incb039110 | INCB039110: a JAK1 inhibitor; structure in first source | ||
| pradigastat | |||
| bp-1-102 | BP-1-102: a STAT3 inhibitor; structure in first source | ||
| ml298 | |||
| chir 98014 | aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator | |
| lesinurad | lesinurad : A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. lesinurad: a uric acid reabsorption inhibitor | aryl sulfide; cyclopropanes; monocarboxylic acid; naphthalenes; organobromine compound; triazoles | uricosuric drug |
| gsk2656157 | biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor | |
| 7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine | 7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine: inhibits protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK); structure in first source | ||
| sar405838 | SAR405838: an inhibitor of the interaction of MDM2 and p53; has antineoplastic activity; structure in first source | ||
| cudc-907 | |||
| dcc-2701 | DCC-2701: inhibits c-Met protein, TIE-2 protein, and vascular endothelial growth factor receptor | ||
| ascorbic acid | Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
| raltegravir | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor | |
| novobiocin | novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus. Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
| tetracycline | tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis. | ||
| chlortetracycline | chlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution. | ||
| minocycline | minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections. | ||
| dicumarol | Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
| 1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| piroxicam | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug | |
| lfm a13 | LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties. | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
| robustic acid | robustic acid: structure in first source | isoflavonoid; organic hydroxy compound | |
| mobic | meloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis. Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS. | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
| 4-hydroxy-1-methyl-3-(phenylthio)-1,2-dihydroquinolin-2-one | quinolines | ||
| warfarin | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice. Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide. | benzenes; hydroxycoumarin; methyl ketone | |
| rk 682 | |||
| 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3-quinazolinyl)-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| N'-[(2-chlorophenyl)-oxomethyl]-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarbohydrazide | aromatic amide; quinolines | ||
| 4,7-Dihydroxy-2H-1-benzopyran-2-one | hydroxycoumarin | ||
| 4-hydroxy-1-methyl-N'-[(3-methylphenyl)-oxomethyl]-2-oxo-3-quinolinecarbohydrazide | aromatic amide; quinolines | ||
| bromadiolone | diarylheptanoid | ||
| 4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| 6-o-palmitoylascorbic acid | fatty acid ester | ||
| oxytetracycline | |||
| pyrvinium pamoate | naphthoic acid | anticoronaviral agent | |
| oxytetracycline hydrochloride | |||
| citrinin | Citrinin: Antibiotic and mycotoxin from Aspergillus niveus and Penicillium citrinum. | ||
| tipranavir | tipranavir : A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor. tipranavir: inhibits HIV-1 protease | sulfonamide | antiviral drug; HIV protease inhibitor |
| fuscin | fuscin: antibacterial pigment produced by the fungus Didiodendron fuscom; minor descriptor (75-82); online & Index Medicus search BENZOPYRANS (75-82) | ||
| chlortetracycline hydrochloride | Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil | ||
| tasquinimod | tasquinimod: a lead second generation quinoline-3-carboxamide anti-angiogenic agent for the treatment of prostate cancer; structure in first source | ||
| 4-hydroxycoumarin | 2-hydroxychromone: structure | hydroxycoumarin | |
| rolitetracycline | rolitetracycline : A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group. Rolitetracycline: A pyrrolidinylmethyl TETRACYCLINE. | ||
| 1-ethyl-4-hydroxy-2-oxo-N'-(1-oxoheptyl)-3-quinolinecarbohydrazide | aromatic amide; quinolines | ||
| N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide | hydroxyquinoline | ||
| teriflunomide | (trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide | drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor | |
| methacycline monohydrochloride | |||
| ethyl biscoumacetate | Ethyl Biscoumacetate: A coumarin that is used as an anticoagulant. It has actions similar to those of WARFARIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p226) | hydroxycoumarin | |
| hispidin | hispidin : Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus). hispidin: metabolite of Basidiomycete Polyporus hispidus | 2-pyranones; catechols | antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite |
| minocycline hydrochloride | |||
| nsc 158393 | NSC 158393: structure given in first source | ||
| 4-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-2-one | hydroxycoumarin | ||
| 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | ||
| vulpinic acid | vulpinic acid: RN given refers to cpd without isomeric designation; structure given in first source; vulpinic acid refers to (E)-isomer | butenolide | |
| 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetic acid pentyl ester | hydroxyquinoline | ||
| N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| chrome azurol s | chrome azurol S: reagent for beryllium determination spectrophotometrically | ||
| a 1062 | A 1062: inhibits resolvase binding to the res site; structure given in first source | ||
| tetracycline hydrochloride | Actisite: tradename; fiber for periodontal use | ||
| clorobiocin | clorobiocin: chlorine-containing antibiotic related to novobiocin | ||
| dolutegravir | difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide | HIV-1 integrase inhibitor | |
| palinurin | palinurin: an NSAID with antibacterial activity; isolated from Ircinia species; structure in firs t source | ||
| urmc-099 | URMC-099: inhibits mixed lineage kinase 3 | ||
| 4-[4-(5,5-dimethyl-4H-thiazol-2-yl)-1-piperazinyl]-6-propylthieno[2,3-d]pyrimidine | N-arylpiperazine; thienopyrimidine | ||
| ew-7197 | vactosertib: a TGF-beta type I receptor kinase inhibitor with antifibrotic and antineoplastic activities; structure in first source | ||
| ml289 | ML289: metabotropic glutamate receptor 3 probe | ||
| AZD3463 | AZD3463 : A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK. | aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| sar245408 | |||
| agi-5198 | AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source | ||
| on123300 | ON123300: a protein kinase inhibitor; structure in first source | ||
| byl719 | proline derivative | ||
| rg2833 | RG2833: a histone deacetylase inhibitor; structure in first source | ||
| ent-crizotinib | ent-crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that is the (S)-enantiomer of crizotinib. | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | |
| (1S,2R)-2-[[(1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-1-cyclohexanecarboxylic acid | LH601A: inhibits the interaction between KEAP1 and NRF2; structure in first source | phthalimides | |
| cep-32496 | agerafenib: inhibitor of RAF family kinases; structure in first source | ||
| amg 511 | AMG 511: structure in first source | ||
| epz004777 | N-glycosyl compound | ||
| ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate | ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: structure in first source | ||
| mi-192 | MI-192: histone deacetylase 2 and 3 inhibitor; structure in first source | ||
| nsc751382 | |||
| cep-28122 | CEP-28122: inhibits anaplastic lymphoma kinase; structure in first source | ||
| pbtz169 | macozinone: an antitubercular agent; structure in first source | ||
| s-777469 | S-777469: an orally available cannabinoid receptor CB2 agonist as an antipruritic agent; structure in first source | ||
| rociletinib | rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source | ||
| cep 33779 | |||
| jy-1-106 | JY-1-106: a BH3 alpha-helix mimetic that functions as a pan-Bcl-2 inhibitor; structure in first source | ||
| entecavir | benzamides; N-acylpiperidine | ||
| ceritinib | ceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. ceritinib: an anaplastic lymphoma kinase inhibitor | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| ap26113 | |||
| vu0364572 | VU0364572: muscarinic agonist; structure in first source | ||
| ganoderic acid c2 | ganoderic acid C2: from the fruiting body of Ganoderma; structure in first source | triterpenoid | |
| ganoderic acid y | ganoderic acid Y: has antiviral activity; isolated from Ganoderma lucidum; structure in first source | triterpenoid | |
| AKB48 | N-(1-adamantyl)-1-pentylindazole-3-carboxamide: a synthetic cannabinoid; structure in first source | aromatic amide; indazoles | |
| rg7112 | |||
| pg 545 | PG 545: an anti-angiogenesis agent with heparanase inhibitory activity; structure in first source | ||
| 5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime | indanes | ||
| gs-458967 | 6-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)(1,2,4)triazolo(4,3-a)pyridine: an anti-arrhythmia agent that inhibits late sodium current; structure in first source | ||
| MK-8353 | MK-8353 : A member of the class of indazoles that is 1H-indazole substituted by a 6-(propan-2-yloxy)pyridin-3-yl group at position 3 and by a {[(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)pyrrolidin-3-yl]carbonyl}amino group at position 5. It is a potent and selective inhibitor of ERK1 and ERK2 in vitro (IC50 values of 23.0 nM and 8.8 nM, respectively). The drug is being developed by Merck Sharp & Dohme and is currently in clinical development for the treatment of advanced/metastatic solid tumors. MK-8353: ERK inhibitor used in oncology | aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| cc214-2 | CC214-2: an mTOR kinase inhibitor; structure in first source | ||
| cc-223 | |||
| cc-115 | 1-ethyl-7-(2-methyl-6-(1H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino(2,3-b)pyrazin-2(1H)-one: an mTOR kinase inhibitor; structure in first source | ||
| azd1208 | |||
| doravirine | |||
| cfi-400945 | |||
| gne-7915 | |||
| HG-10-102-01 | HG-10-102-01 : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). HG-10-102-01: a PET radiotracer that targets LRRK2 protein; structure in first source | aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| amg 232 | |||
| cc-292 | spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source | ||
| vx-509 | |||
| a-1155463 | A-1155463: a Bcl-X(L) inhibitor; structure in first source | ||
| vx-970 | berzosertib: an ATR kinase inhibitor | sulfonamide | |
| gs-9973 | |||
| gsk-7975a | 2,6-difluoro-N-(1-(4-hydroxy-2-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide: structure in first source | ||
| bay 94-8862 | finerenone: a potent, selective, and orally available nonsteroidal mineralocorticoid receptor antagonist; structure in first source | ||
| ldn-212854 | |||
| bm-1197 | BM-1197: inhibits both Bcl-xL and Bcl-2; has antineoplastic activity | ||
| trv130 | |||
| jd5037 | JD5037: a cannabinoid-1 receptor inverse agonist; structure in first source | ||
| jnj-47965567 | JNJ-47965567: a P2X7 purinergic receptor antagonist; structure in first source | ||
| debio 1347 | CH5183284: a fibroblast growth factor receptor antagonist; structure in first source | ||
| epz-6438 | tazemetostat: a histone methyltransferase EZH2 inhibitor with antineoplastic activity | ||
| gsk2879552 | GSK2879552 : A member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma. GSK2879552: inhibits lysine demethylase 1; structure in first source | benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
| pf-543 | PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first source | sulfonamide | |
| gne-618 | GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source | ||
| vx-787 | pimodivir: non‐nucleotide inhibitor of the polymerase basic protein 2 (PB2) subunit of the influenza A that is active against H1N1, H7N9 and H5N1, as well as influenza A strains with reduced susceptibility to NAIs | ||
| erdafitinib | erdafitinib: inhibitor of fibroblast growth factor receptors | ||
| tas-116 | |||
| g007-lk | G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source | ||
| frax486 | |||
| gsk2578215a | GSK2578215A: an inhibitor of LRRK2 kinase; structure in first source | ||
| gsk-2816126 | GSK-2816126: inhibits EZH2 methyltransferase; structure in first source | piperazines; pyridines | |
| gne-617 | GNE-617: inhibits nicotinamide phosphoribosyltransferase; structure in first source | ||
| volitinib | |||
| amg319 | |||
| gne-0877 | 2-methyl-2-(3-methyl-4-((4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)propanenitrile: a leucine-rich repeat kinase 2 (LRRK2) inhibitor; structure in first source | ||
| n2-(1h-indazole-5-yl)-n6-methyl-3-nitropyridine-2,6-diamine | KRIBB11 : A member of the class of indazoles that is 1H-indazole substituted by a [6-(methylamino)-3-nitropyridin-2-yl]amino group at position 5. It is an inhibitor of heat shock factor 1 (IC50 = 1.2muM) and suppresses tumour growth in mouse xenograft models. N2-(1H-indazole-5-yl)-N6-methyl-3-nitropyridine-2,6-diamine: a heat shock factor 1 antagonist; structure in first source | ||
| gne-317 | GNE-317: an mTOR inhibitor also; structure in first source | ||
| ajmaline | |||
| frax597 | FRAX597: structure in first source | ||
| acp-196 | acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| gsk343 | GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). GSK343: an EZH2 methyltransferase inhibitor | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
| sar131675 | SAR131675: structure in first source | ||
| agi-6780 | AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source | ||
| sdb-001 | N-(adamtan-1-yl)-1-pentyl-1H-indole-3-carboxamide: a cannabimimetic; structure in first source | ||
| 3-(2-((cyclobutylmethyl)(phenethyl)amino)ethyl)phenol | 3-(2-((cyclobutylmethyl)(phenethyl)amino)ethyl)phenol: structure in first source | ||
| 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone | 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone: an Hsp90 inhibitor; structure in first source | ||
| sklb1002 | SKLB1002: structure in first source | ||
| 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1h-benzotriazole-5-carboxylic acid | 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid: a partial RXR agonist; structure in first source | ||
| 4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | 4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide: inhibits HDAC6; structure in first source | ||
| idarucizumab | |||
| osimertinib | osimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. osimertinib: an EGFR tyrosine kinase inhibitor | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| tg6-10-1 | TG6-10-1: brain-permeant prostaglandin E receptor 2 antagonist; structure in first source | ||
| a-1331852 | A-1331852: a Bcl-X(L) inhibitor; structure in first source | ||
| bmx-in-1 | BMX-IN-1: a BMX tyrosine kinase inhibitor; structure in first source | ||
| tenapanor | |||
| nk 252 | NK 252: potentiates the action of antitumor drugs against drug-sensitive tumors; structure given in first source | ||
| ivosidenib | ivosidenib : A tertiary carboxamide resulting from the formal condensation of the carboxy group of (2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid with the secondary amino group of (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[(5-fluoropyridin-3-yl)amino]acetamide. It is approved by the FDA for the treatment of acute myeloid leukemia (AML) in patients with an isocitrate dehydrogenase-1 (IDH1) mutation. ivosidenib: an inhibitor of isocitrate dehydrogenase 1 (IDH1) for treatment of acute myeloid leukemia (AML) | cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| mk-8742 | elbasvir : A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. elbasvir: inhibits NS5A protein of hepatitis C virus | carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent |
| ly3009120 | LY3009120 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties. LY3009120: a pan-RAF inhibitor; structure in first source | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
| pf-06463922 | lorlatinib : A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer. lorlatinib: inhibits both anaplastic lymphoma kinase and c-ros oncogene 1 (ROS1) protein | aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 9-(1-methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinone | naphthyridine derivative | ||
| ddd107498 | DDD107498: has antimalarial activity; structure in first source | ||
| n-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid | N-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid: inhibits anoctamin-1; structure in first source | ||
| etp-46464 | ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source | ||
| lsn2463359 | |||
| pf-06447475 | |||
| sar405 | SAR405: a Vps34 inhibitor with antineoplastic activity; structure in first source | ||
| santacruzamate a | santacruzamate A: HDAC2 inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.; structure in first source | organonitrogen compound; organooxygen compound | |
| unc2025 | UNC2025: inhibits both MER and FLT3 kinases; structure in first source | ||
| onc201 | TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source | ||
| gne-9605 | |||
| nelfinavir | |||
| CCT251545 | CCT251545 : A chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19. CCT251545: a Wnt signaling inhibitor; structure in first source | azaspiro compound; chloropyridine; pyrazoles | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor |
| azd3759 | |||
| MLI-2 | MLI-2 : A member of the class of indazoles that is 1H-indazole that is substituted at position 3 by a 6-(cis-2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl group and at position 5 by a (1-methylcyclopropoxy)group. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). | aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| ly2857785 | |||
| 6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine | 6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source | ||
| kj-pyr-9 | KJ-Pyr-9: antineoplastic; structure in first source | ||
| PF-06446846 | PF-06446846 : A triazolopyridine that is 3H-[1,2,3]triazolo[4,5-b]pyridine substituted by a 4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl group at position 3. It is a potent inhibitor of PCSK9. PF-06446846: inhibits translation of PCSK9 ;structure in first source | benzamides; monochloropyridine; piperidines; tertiary carboxamide; triazolopyridine | antilipemic drug; EC 3.4.21.61 (kexin) inhibitor |
| ver-246608 | VER-246608: inhibits pyruvate dehydrogenase kinase; structure in first source | ||
| clothianidin | (E)-clothianidin : A clothiadin that has E configuration at the C=N bond of the nitroguanidine moiety. | 1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound | environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
| azd9496 | AZD9496: an estrogen receptor antagonist; structure in first source | ||
| 3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile | 3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile: a metabotropic glutamate receptor 5 antagonist; structure in first source | ||
| enasidenib | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor | |
| plx7904 | |||
| gsk3235025 | GSK3235025: an inhibitor of protein arginine methyltransferase-5 (PRMT5); structure in first source | ||
| centrinone | centrinone: a polo-like kinase 4 inhibitor; structure in first source | ||
| BDA-366 | BDA-366 : A member of the class of anthraquinone that is 1,4-diamino-9,10-anthraquinone in which the two amino groups are carrying 3-(diethylamino)-2-hydroxypropyl and (oxiran-2-yl)methyl substituents. It exhibits anti-cancer properties. BDA-366: has antineoplastic activity; binds Bcl-2 protein; structure in first source | anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer |
| sbi-0206965 | SBI-0206965: inhibits ULK1 kinase; structure in first source | ||
| aristoforin | Aristoforin: derivative of hyperforin, is a potent anticancer agent; structure in first source | ||
| s 8932 | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug | |
| phaeosphaeride a | phaeosphaeride A: inhibits STAT3-dependent signaling; structure in first source | ||
| protac-3 | |||
| at 9283 | |||
| otssp167 | OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity | ||
| akt-i-1,2 compound | Akt-I-1,2 compound: an aminopeptidase P inhibitor; structure in first source | ||
| chir 258 | |||
| r 1530 | |||
| acyclovir | acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes. | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
| can 508 | CAN 508: has antiangiogenic activity; structure in first source CAN-508 : A member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 muM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes. | aromatic amine; monoazo compound; phenols; pyrazoles | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| stf 083010 | STF 083010: inhibits Ire1 endonuclease; structure in first source | ||
| osi 027 | OSI 027: inhibits both mTORC1 and mTORC2; structure in first source | ||
| nu 1025 | NU 1064: structure in first source | phenols; quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| ((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one) | leucettine L41 : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 muM, respectively). | benzodioxoles; imidazolone; substituted aniline | autophagy inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.12.1 (dual-specificity kinase) inhibitor; neuroprotective agent; nootropic agent |
| deoxyguanosine | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| guanosine monophosphate | guanosine 5'-monophosphate : A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase. Guanosine Monophosphate: A guanine nucleotide containing one phosphate group esterified to the sugar moiety and found widely in nature. | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
| guanine | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| guanosine | ribonucleoside : Any nucleoside where the sugar component is D-ribose. | guanosines; purines D-ribonucleoside | fundamental metabolite |
| hypoxanthine | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite | |
| inosinic acid | Inosine Monophosphate: Inosine 5'-Monophosphate. A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| inosine | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
| folic acid | folcysteine: used to promote fertility in chickens vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
| rifampin | Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160) | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
| clozapine | clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent. | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
| dacarbazine | (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration. | dacarbazine | |
| didanosine | didanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS. Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite. | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
| ganciclovir | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug | |
| sildenafil | sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position. | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
| olanzapine | olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4. Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy. | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
| pralidoxime | pralidoxime : A pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2. pralidoxime: RN given refers to parent cpd; chloride was minor descriptor (75-80); on-line & Index Medicus search PRALIDOXIME COMPOUNDS (66-80) | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
| zaprinast | zaprinast: anaphylaxis inhibitor; structure | triazolopyrimidines | |
| raltitrexed | N-acyl-amino acid | ||
| vardenafil | vardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine. | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
| kf38789 | KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source | ||
| 2-methyl-4(3h)-quinazolinone | 2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source | ||
| salinazid | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
| ro 3306 | RO 3306: structure in first source | ||
| 8-amino-9-(2-thienylmethyl)guanine | |||
| allopurinol | allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms. | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
| tyrphostin ag 1112 | tyrphostin AG 1112: structure given in first source | ||
| azaguanine | 8-azaguanine : A triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively. Azaguanine: One of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids. | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
| hematein | hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. hematein: structure | ||
| allopurinol riboside | allopurinol riboside : A nucleoside analogue that is allopurinol with a beta-D-ribofuranosyl moiety at the 1-position. | nucleoside analogue | metabolite |
| 7-deazaguanine | organic molecular entity | ||
| 4-hydroxyquinazoline | 4-oxo-3,4-dihydroquinazoline: structure in first source | quinazolines | |
| 5-amino-2-phenyl-3H-triazolo[4,5-d]pyrimidin-7-one | triazoles | ||
| 8-amino-9-benzylguanine | 8-amino-9-benzylguanine: structure given in first source | ||
| forodesine | forodesine: structure in first source | dihydroxypyrrolidine; pyrrolopyrimidine | |
| tegaserod | tegaserod: a nonbenzamide 5-hydroxytryptamine(4) agonist; used in treatment of irritable bowel syndrome; marketing suspended 2007 in US due to higher incidence of MI, stroke, and unstable angina; structure given in first source | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
| norclozapine | N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. norclozapine: structure given in first source | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
| ag 337 | |||
| 2-styrylquinazolin-4(3h)-one | 2-styrylquinazolin-4(3H)-one: structure given in first source | ||
| pemetrexed | pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
| 2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | aryl sulfide | ||
| phthivazide | |||
| 1-hydroxyphenazine | 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position. 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa | phenazines | |
| 2-pyridin-4-yl-1H-quinazolin-4-one | organonitrogen heterocyclic compound | ||
| bentazepam | bentazepam: RN given refers to parent cpd; structure | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| bropirimine | pyrimidines | ||
| peldesine | peldesine: potent inhibitor of human CCRF-CEM T-cell proliferation; structure given in first source | ||
| aprepitant | aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING. | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
| tegaserod maleate | maleate salt | serotonergic agonist | |
| hymenialdisine | |||
| MMP-9-IN-1 | MMP-9-IN-1 : A secondary carboxamide resulting from the formal condensation of the carboxy group of [(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid with the amino group of 4-(difluoromethoxy)aniline. It is a specific matrix metalloproteinase-9 (MMP-9) inhibitor. | aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor |
| 1,4-Dihydrothieno[3,2-d]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| tmc 256c1 | TMC 256C1: inhibits IL-4 signal transduction; structure in first source | ||
| isogranulatimide | isogranulatimide: G2 checkpoint inhibitor; structure in first source | ||
| ci 972 | CI 972: structure given in first source | ||
| way 200070 | WAY 200070: a neuroprotective agent; structure in first source | ||
| xav939 | XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group. XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source | (trifluoromethyl)benzenes; thiopyranopyrimidine | tankyrase inhibitor |
| ag-879 | AG-879: structure given in first source | ||
| 2-carboxyarabinitol 1-phosphate | |||
| sb-590885 | N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine | ||
| hesperadin | |||
| 8-aminoguanine | |||
| nintedanib | nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer. | ||
| flavellagic acid | flavellagic acid: RN given refers to parent cpd; structure | ||
| oosporein | oosporein: from Chaetomium trilaterale; found in moldy peanuts | ||
| 6-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one | 1,2,4-triazines | ||
| N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamide | quinazolines | ||
| 2-(4-methoxyphenyl)-1H-quinazolin-4-one | quinazolines | ||
| heliomycin | heliomycin: Russian drug; antibiotic with antiviral properties isolated from Actinomyces flavochromogenes var. heliomycini; structure | ||
| 9-(4-hydroxybutyl)guanine | |||
| psb 11 | |||
| acyclovir monophosphate | |||
| methylnitronitrosoguanidine | Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position | nitroso compound | alkylating agent |
| 2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one | methoxybenzenes | ||
| N-butyl-5-(3,4-dimethylphenyl)-6H-1,3,4-thiadiazin-2-amine | methylbenzene | ||
| bis(3',5')-cyclic diguanylic acid | cyclic purine dinucleotide; guanyl ribonucleotide | immunomodulator; signalling molecule | |
| cnb 001 | |||
| bms 536924 | BMS 536924: inhibits insulin-like growth factor I receptor kinase; structure in first source | ||
| 2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one | quinazolines | ||
| asoxime chloride | |||
| clozapine n-oxide | clozapine N-oxide: structure given in first source | dibenzodiazepine | |
| pralidoxime chloride | organic chloride salt; pyridinium salt | cholinergic drug; cholinesterase reactivator | |
| immucillin g | immucillin G: structure in first source | dihydroxypyrrolidine; pyrrolopyrimidine | |
| desmethylolanzapine | desmethylolanzapine: structure in first source | benzodiazepine | |
| ver-50589 | VER-50589: inhibits heat shock protein 90 molecular chaperone; structure in first source | ||
| methylaplysinopsin | methylaplysinopsin: isolated from Dictyoceratid sponge Aplysinopsis reticulata; affects serotogenic neurotransmission; structure given in first source | ||
| febantel | febantel: structure | aryl sulfide | |
| amg531 | |||
| ly 518674 | LY 518674: a peroxisome proliferator-activated receptor alpha agonist; structure in first source | ||
| ulodesine | ulodesine: a purine nucleoside phosphorylase inhibitor | ||
| debromohymenialdisine | |||
| bay 65-1942 | |||
| t16ainh-a01 | T16AInh-A01: a TMEM16A inhibitor | ||
| way-169916 | WAY-169916: nonsteroidal selective NF-kappaB inhibitor; structure in first source | ||
| 8-bromoguanosine | purine nucleoside | ||
| cyclic guanosine monophosphate-adenosine monophosphate | c-GMP-AMP : A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'-linkages. | adenyl ribonucleotide; cyclic purine dinucleotide; guanyl ribonucleotide | |
| scytonemin | scytonemin : A ring assembly obtained by 1,1'-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecule produced by many strains of cyanobacteria. scytonemin: an ultraviolet sunscreen pigment from the sheaths of cyanobacteria; structure given in first source | enone; organic heterotricyclic compound; organonitrogen heterocyclic compound; polyphenol; ring assembly | bacterial metabolite; biological pigment; ultraviolet filter |
| aplysinopsin | aplysinopsin: antineoplastic tryptophan deriv from Verongia spengetii (marine sponge); structure | ||
| galloflavin | galloflavin: structure in first source | ||
| n-benzo(1,3)dioxol-5-yl-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)-1-methyl-1h-pyrazol-3-yloxy)-acetamide | |||
| gossylic iminolactone | gossylic iminolactone: inhibits human immunodeficiency virus type I replication; structure given in first source | ||
| 2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone | 2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone: an alkyl ketone herbicide; structure given in first source | mixture | |
| hydrazinocurcumin | hydrazinocurcumin : A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine. hydrazinocurcumin: structure in first source | aromatic ether; olefinic compound; polyphenol; pyrazoles | angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| 9-arabinofuranosylguanine | 9-arabinofuranosylguanine: RN given refers to (beta)-isomer 9-beta-D-arabinofuranosylguanine : A purine nucleoside in which guanine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. It inhibits DNA synthesis and causes cell death. | beta-D-arabinoside; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor |
| 5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole | pyrazoles; ring assembly | ||
| carbadox | Carbadox: An antibacterial agent that has been used in veterinary practice for treating swine dysentery and enteritis and for promoting growth. However, its use has been prohibited in the UK following reports of carcinogenicity and mutagenicity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p125) | quinoxaline derivative | |
| 9-deaza-9-(3-thienylmethyl)guanine | |||
| apogossypolone | apogossypolone: has antineoplastic activity; structure in first source | ||
| 8-aminoguanosine | |||
| 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester | leucine derivative | ||
| n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | catechols; hydrazide; hydrazone; naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor | |
| gossylic lactone | gossylic lactone: inhibits human immunodeficiency virus type I replication; structure given in first source | ||
| ver 52296 | luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine. | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |
| luf 5834 | 2-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile: structure in first source | ||
| nbi 31772 | NBI 31772: an insulin-like growth factor-binding protein ligand; structure in first source NBI-31772 : An isoquinoline substituted by 3,4-dihydroxybenzoyl, carboxy, hydroxy, and hydroxy groups at positions 1, 3, 6, and 7, respectively. It is a potent inhibitor of insulin-like growth factor-1 binding protein (IGFBP). | aromatic ketone; benzenediols; hydroxy monocarboxylic acid; isoquinolines; tetrol | insulin-like growth factor-binding protein inhibitor |
| 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester | benzoate ester | ||
| cyclic guanosine monophosphate-adenosine monophosphate | 2'-3'-cGAMP : A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'- and 2',5'-linkages respectively. | adenyl ribonucleotide; cyclic purine dinucleotide; guanyl ribonucleotide | |
| XL413 | XL413 : A benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties. | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| cct 241533 | |||
| sta 9090 | ring assembly; triazoles | ||
| bmn 673 | talazoparib: inhibits both PARP1 and PARP2; structure in first source | ||
| amg 221 | AMG 221: structure in first source | ||
| pf-477736 | PF 00477736: a Chk1 inhibitor; structure in first source PF-00477736 : A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1). | ||
| bay 80-6946 | copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies. copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source | ||
| pp242 | torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine | antineoplastic agent; mTOR inhibitor |
| obidoxime chloride | |||
| thiamet g | |||
| nms-e973 | NMS-E973: structure in first source | ||
| me0328 | ME0328: inhibits ARTD3; structure in first source | ||
| n(delta)-(5-methyl-4-oxo-2-imidazolin-2-yl)ornithine | N(delta)-(5-methyl-4-oxo-2-imidazolin-2-yl)ornithine: RN given for (L)-isomer; structure in first source | ||
| n-(3-((2-hydroxynaphthalen-1-ylmethylene)amino)phenyl)-2-phenylpropionamide | |||
| fenobam | fenobam: in USAN fenobam refers to monohydrate | ureas | |
| rifampin | |||
| as1940477 | |||
| crt 0066101 | CRT 0066101: protein kinase D inhibitor with antineoplastic activity | ||
| nvp-tnks656 | |||
| ARS-1620 | ARS-1620 : A qinazoline derivative carrying chloro and fluoro substituents at positions 6 and 8 respectively, a 2-fluoro-6-hydroxyphenyl group at position 7, and a 4-(prop-2-enoyl)piperazin-1-yl group at position 4. A potent, selective, and orally bioavailable covalent KRAS-G12C inhibitor, it inhibits the protein coding gene KRAS (Kirsten rat sarcoma virus) with high potency in cells and animals. ARS-1620: covalent S-IIP G12C inhibitor for targeting of KRAS G12C mutant tumors | quinazolines | antineoplastic agent; antiviral agent; inhibitor |
| N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide | N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM). | aldehyde; indolecarboxamide; oligopeptide; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| molnupiravir | molnupiravir : A nucleoside analogue that is N(4)-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N(4)-hydroxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatment of patients with COVID-19. molnupiravir: prodrug that’s metabolized into N4-hydroxycytidine (NHC), a ribonucleoside analog | isopropyl ester; ketoxime; nucleoside analogue | anticoronaviral agent; antiviral drug; prodrug |
| 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 muM). | aldehyde; indolecarboxamide; monofluorobenzenes; oligopeptide; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| paracymethadol hydrochloride, (s-(r*,r*))-isomer |