Page last updated: 2024-10-24

metal ion binding

Definition

Target type: molecularfunction

Binding to a metal ion. [GOC:ai]

Metal ion binding is a fundamental molecular function that involves the interaction of a protein or other biomolecule with a metal ion. This interaction can occur through a variety of mechanisms, including electrostatic interactions, coordinate bonds, and hydrophobic interactions. The specific nature of the metal ion binding site and the type of metal ion bound can vary widely, leading to a diverse range of functions.

Metal ion binding plays crucial roles in many biological processes, including:

* **Enzymatic catalysis:** Metal ions can act as cofactors in enzymatic reactions, facilitating the formation of reactive intermediates, stabilizing transition states, or promoting electron transfer.
* **Structural integrity:** Metal ions can contribute to the overall stability and structure of proteins and other biomolecules by forming cross-links or bridging interactions.
* **Signal transduction:** Metal ions can act as signaling molecules, binding to specific receptors and triggering downstream signaling pathways.
* **Transport and storage:** Metal ions are involved in the transport and storage of essential nutrients and other molecules within cells and organisms.
* **Gene regulation:** Metal ions can influence gene expression by binding to regulatory proteins and altering their activity.

The specific molecular function of metal ion binding is highly dependent on the identity of the metal ion, the protein or biomolecule involved, and the context of the interaction. For example, zinc ions are often involved in catalytic activities, while calcium ions are essential for signal transduction.

Metal ion binding is a complex and multifaceted process that is essential for life. Understanding the molecular basis of metal ion binding is crucial for understanding the function of many proteins and other biomolecules, as well as for developing new therapeutic strategies.'
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Proteins (453)

ProteinDefinitionTaxonomy
1-deoxy-D-xylulose-5-phosphate synthaseA 1-deoxy-D-xylulose-5-phosphate synthase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P77488]Escherichia coli K-12
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthaseA 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 reductoisomeraseA 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
Ribonuclease TA ribonuclease T that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P30014]Escherichia coli K-12
ATP-dependent DNA helicase DinGAn ATP-dependent DNA helicase DinG that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P27296]Escherichia coli K-12
Farnesyl diphosphate synthaseA farnesyl diphosphate synthase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P22939]Escherichia coli K-12
DNA topoisomerase 4 subunit BA DNA topoisomerase 4 subunit B that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P20083]Escherichia coli K-12
DNA gyrase subunit BA DNA gyrase subunit B that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AES6]Escherichia coli K-12
Methionine aminopeptidaseA methionine aminopeptidase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AE18]Escherichia coli K-12
Inosine-5'-monophosphate dehydrogenaseAn inosine-5-monophosphate dehydrogenase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0ADG7]Escherichia coli K-12
Delta-aminolevulinic acid dehydrataseA delta-aminolevulinic acid dehydratase that is encoded in the genome of Escherichia coli K-12. [OMA:P0ACB2, PRO:DNx]Escherichia coli K-12
Dihydropteroate synthaseA dihydropteroate synthase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AC13]Escherichia coli K-12
Fructose-bisphosphate aldolase class 2A fructose-bisphosphate aldolase class 2 that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AB71]Escherichia coli K-12
DNA-directed RNA polymerase subunit beta'A DNA-directed RNA polymerase subunit beta that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A8T7]Escherichia coli K-12
Ribonuclease HIA ribonuclease HI that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A7Y4]Escherichia coli K-12
50S ribosomal protein L31A large ribosomal subunit protein bL31 that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A7M9]Escherichia coli K-12
Inorganic pyrophosphataseAn inorganic pyrophosphatase Ppa that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A7A9]Escherichia coli K-12
UDP-3-O-acyl-N-acetylglucosamine deacetylaseA UDP-3-O-acyl-N-acetylglucosamine deacetylase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A725]Escherichia coli K-12
Phospho-N-acetylmuramoyl-pentapeptide-transferaseA phospho-N-acetylmuramoyl-pentapeptide-transferase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A6W3]Escherichia coli K-12
Dihydrofolate synthase/folylpolyglutamate synthaseA dihydrofolate synthase/folylpolyglutamate synthase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P08192]Escherichia coli K-12
3-dehydroquinate synthaseA 3-dehydroquinate synthase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P07639]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
Formamidopyrimidine-DNA glycosylaseA formamidopyrimidine-DNA glycosylase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P05523]Escherichia coli K-12
Isoleucine--tRNA ligaseAn isoleucine--tRNA ligase that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P00956]Escherichia coli K-12
Beta-galactosidaseA 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 1A bifunctional aspartokinase/homoserine dehydrogenase 1 that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P00561]Escherichia coli K-12
Tubulin beta-2B chainA protein that is a translation product of the TUBB2B gene in cow. [PRO:DNx, UniProtKB:Q6B856]Bos taurus (cattle)
Retinoid isomerohydrolase [no definition available]Bos taurus (cattle)
cGMP-specific 3',5'-cyclic phosphodiesteraseA cGMP-specific 3,5-cyclic phosphodiesterase that is encoded in the genome of cow. [OMA:Q28156, PRO:DNx]Bos taurus (cattle)
Rho-associated protein kinase 2[no definition available]Bos taurus (cattle)
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1BA dual specificity calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase 1B that is encoded in the genome of cow. [OMA:Q01061, PRO:DNx]Bos taurus (cattle)
Casein kinase II subunit beta[no definition available]Bos taurus (cattle)
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoformA serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform that is encoded in the genome of cow. [OMA:P67774, PRO:DNx]Bos taurus (cattle)
Nitric oxide synthase, endothelial[no definition available]Bos taurus (cattle)
Sodium-dependent dopamine transporter[no definition available]Bos taurus (cattle)
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrialAn NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial that is encoded in the genome of cow. [OMA:P25708, PRO:DNx]Bos taurus (cattle)
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit betaA rod cGMP-specific 3,5-cyclic phosphodiesterase subunit beta that is encoded in the genome of cow. [OMA:P23439, PRO:DNx]Bos taurus (cattle)
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'A cone cGMP-specific 3,5-cyclic phosphodiesterase subunit alpha that is encoded in the genome of cow. [OMA:P16586, PRO:DNx]Bos taurus (cattle)
N-acetyllactosaminide alpha-1,3-galactosyltransferaseAn N-acetyllactosaminide alpha-1,3-galactosyltransferase that is encoded in the genome of cow. [OMA:P14769, PRO:DNx]Bos taurus (cattle)
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A [no definition available]Bos taurus (cattle)
cGMP-dependent 3',5'-cyclic phosphodiesterase[no definition available]Bos taurus (cattle)
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alphaA rod cGMP-specific 3,5-cyclic phosphodiesterase subunit alpha that is encoded in the genome of cow. [OMA:P11541, PRO:DNx]Bos taurus (cattle)
DNA nucleotidylexotransferaseA DNA nucleotidylexotransferase that is encoded in the genome of cow. [OMA:P06526, PRO:DNx]Bos taurus (cattle)
AlbuminAn albumin that is encoded in the genome of cow. [OMA:P02769, PRO:DNx]Bos taurus (cattle)
Beta-caseinA beta-casein that is encoded in the genome of cow. [OMA:P02666, PRO:DAN]Bos taurus (cattle)
Cationic trypsinA protein that is a translation product of any of the following genes in cowBos taurus (cattle)
Prostaglandin G/H synthase 2 A prostaglandin G/H synthase 2 that is encoded in the genome of cow. [OMA:O62698, PRO:DNx]Bos taurus (cattle)
Prostaglandin G/H synthase 1 A prostaglandin G/H synthase 1 that is encoded in the genome of cow. [OMA:O62664, PRO:DNx]Bos taurus (cattle)
Phosphodiesterase [no definition available]Bos taurus (cattle)
Cyclooxygenase-2 [no definition available]Canis lupus familiaris (dog)
Prostaglandin G/H synthase 1[no definition available]Canis lupus familiaris (dog)
E3 ubiquitin-protein ligase Mdm2[no definition available]Canis lupus familiaris (dog)
Sodium/potassium-transporting ATPase subunit alpha-1A sodium/potassium-transporting ATPase subunit alpha-1 that is encoded in the genome of dog. [OMA:P50997, PRO:DNx]Canis lupus familiaris (dog)
Retinoid isomerohydrolaseA retinal pigment epithelium-specific 65 kDa protein that is encoded in the genome of chicken. [PRO:DNx]Gallus gallus (chicken)
Myosin light chain kinase, smooth muscleA myosin light chain kinase, smooth muscle that is encoded in the genome of chicken. [PANTHER:PTHR22964:SF3, PRO:DNx]Gallus gallus (chicken)
10 kDa heat shock protein, mitochondrialA 10 kDa heat shock protein, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61604]Homo sapiens (human)
Mitogen-activated protein kinase kinase kinase 4A mitogen-activated protein kinase kinase kinase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y6R4]Homo sapiens (human)
NF-kappa-B essential modulatorAn NF-kappa-B essential modulator that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
DNA (cytosine-5)-methyltransferase 3AA DNA (cytosine-5)-methyltransferase 3A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y6K1]Homo sapiens (human)
Serine/threonine-protein kinase 24A serine/threonine-protein kinase 24 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9Y6E0]Homo sapiens (human)
Kallikrein-4A kallikrein-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y5K2]Homo sapiens (human)
Diacylglycerol lipase-alphaA diacylglycerol lipase-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y4D2]Homo sapiens (human)
N-acetylated-alpha-linked acidic dipeptidase 2An N-acetylated-alpha-linked acidic dipeptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y3Q0]Homo sapiens (human)
Sodium- and chloride-dependent glycine transporter 2A sodium- and chloride-dependent glycine transporter 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y345]Homo sapiens (human)
Mitogen-activated protein kinase kinase kinase 2A mitogen-activated protein kinase kinase kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2U5]Homo sapiens (human)
Epididymis-specific alpha-mannosidaseAn epididymis-specific alpha-mannosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2E5]Homo sapiens (human)
DNA polymerase etaA DNA polymerase eta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y253]Homo sapiens (human)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10AA cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase 10A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y233]Homo sapiens (human)
Calcium/calmodulin-dependent protein kinase type II subunit alphaA 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 5A histone deacetylase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UQL6]Homo sapiens (human)
Chymotrypsin-like elastase family member 1A chymotrypsin-like elastase family member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UNI1]Homo sapiens (human)
DNA polymerase iotaA DNA polymerase iota that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UNA4]Homo sapiens (human)
Bromodomain and PHD finger-containing protein 3A bromodomain and PHD finger-containing protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9ULD4]Homo sapiens (human)
Protein argonaute-2A protein argonaute-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKV8]Homo sapiens (human)
Histone deacetylase 9A histone deacetylase 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKV0]Homo sapiens (human)
Zinc finger protein AiolosA zinc finger protein Aiolos that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9UKT9]Homo sapiens (human)
Potassium voltage-gated channel subfamily D member 3A voltage-gated potassium channel KCND3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9UK17]Homo sapiens (human)
DNA (cytosine-5)-methyltransferase 3-likeA DNA (cytosine-5)-methyltransferase 3-like that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UJW3]Homo sapiens (human)
Bromodomain adjacent to zinc finger domain protein 2AA bromodomain adjacent to zinc finger domain protein 2A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UIF9]Homo sapiens (human)
Bromodomain adjacent to zinc finger domain protein 2BA bromodomain adjacent to zinc finger domain protein 2B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UIF8]Homo sapiens (human)
DNA polymerase lambdaA DNA polymerase lambda that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UGP5]Homo sapiens (human)
DNA polymerase kappaA DNA polymerase kappa that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBT6]Homo sapiens (human)
Set1/Ash2 histone methyltransferase complex subunit ASH2A Set1/Ash2 histone methyltransferase complex subunit ASH2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBL3]Homo sapiens (human)
DNA (cytosine-5)-methyltransferase 3BA DNA (cytosine-5)-methyltransferase 3B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBC3]Homo sapiens (human)
Potassium voltage-gated channel subfamily D member 2A voltage-gated potassium channel KCND2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9NZV8]Homo sapiens (human)
CDGSH iron-sulfur domain-containing protein 1A CDGSH iron-sulfur domain-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NZ45]Homo sapiens (human)
Group 3 secretory phospholipase A2A group 3 secretory phospholipase A2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NZ20]Homo sapiens (human)
Tubulin alpha-8 chainA tubulin alpha-8 chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NY65]Homo sapiens (human)
Sphingomyelin phosphodiesterase 3A sphingomyelin phosphodiesterase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NY59]Homo sapiens (human)
Serine/threonine-protein kinase 32BA serine/threonine-protein kinase 32B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NY57]Homo sapiens (human)
Voltage-dependent calcium channel subunit alpha-2/delta-2A voltage-dependent calcium channel subunit alpha-2/delta-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NY47]Homo sapiens (human)
Obg-like ATPase 1An obg-like ATPase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NTK5]Homo sapiens (human)
Potassium voltage-gated channel subfamily D member 1A voltage-gated potassium channel KCND1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9NSA2]Homo sapiens (human)
Serine/threonine-protein kinase 36A serine/threonine-protein kinase 36 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRP7]Homo sapiens (human)
Serine/threonine-protein kinase LATS2A serine/threonine-protein kinase LATS2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRM7]Homo sapiens (human)
N-lysine methyltransferase SMYD2An N-lysine methyltransferase SMYD2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRG4]Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-7An NAD-dependent protein deacetylase sirtuin-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRC8]Homo sapiens (human)
Dual specificity tyrosine-phosphorylation-regulated kinase 4A dual specificity tyrosine-phosphorylation-regulated kinase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NR20]Homo sapiens (human)
Transient receptor potential cation channel subfamily V member 5A transient receptor potential cation channel subfamily V member 5 that is encoded in the genome of human. [PRO:HJD, UniProtKB:Q9NQA5]Homo sapiens (human)
DNA-directed DNA/RNA polymerase muA DNA-directed DNA/RNA polymerase mu that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NP87]Homo sapiens (human)
Solute carrier family 40 member 1A solute carrier family 40 member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NP59]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 7BA 3,5-cyclic-AMP phosphodiesterase 7B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NP56]Homo sapiens (human)
CD209 antigenA CD209 molecule that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9NNX6]Homo sapiens (human)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11AA dual 3,5-cyclic-AMP and -GMP phosphodiesterase 11A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9HCR9]Homo sapiens (human)
Relaxin receptor 1A relaxin receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9HBX9]Homo sapiens (human)
MAP kinase-interacting serine/threonine-protein kinase 2A MAP kinase-interacting serine/threonine-protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9HBH9]Homo sapiens (human)
Peptide deformylase, mitochondrialA peptide deformylase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9HBH1]Homo sapiens (human)
Transient receptor potential cation channel subfamily V member 4A transient receptor potential cation channel TRPV4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9HBA0]Homo sapiens (human)
Histone acetyltransferase KAT8A histone acetyltransferase KAT8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H7Z6]Homo sapiens (human)
Histone-lysine N-methyltransferase SMYD3A histone-lysine N-methyltransferase SMYD3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H7B4]Homo sapiens (human)
Tubulin beta-1 chainA tubulin beta-1 chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H4B7]Homo sapiens (human)
UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferaseA UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H3H5]Homo sapiens (human)
Solute carrier family 12 member 5A solute carrier family 12 member 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2X9]Homo sapiens (human)
C-type lectin domain family 4 member MA C-type lectin domain family 4 member M that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9H2X3]Homo sapiens (human)
Poly [ADP-ribose] polymerase tankyrase-2A poly [ADP-ribose] polymerase tankyrase-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2K2]Homo sapiens (human)
Transient receptor potential cation channel subfamily V member 6A transient receptor potential cation channel subfamily V member 6 that is encoded in the genome of human. [PRO:HJD, UniProtKB:Q9H1D0]Homo sapiens (human)
Inhibitor of growth protein 2An inhibitor of growth protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H160]Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP12A protein mono-ADP-ribosyltransferase PARP12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H0J9]Homo sapiens (human)
SharpinA sharpin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H0F6]Homo sapiens (human)
Serine/threonine-protein kinase D2A serine/threonine-protein kinase D2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BZL6]Homo sapiens (human)
RanBP-type and C3HC4-type zinc finger-containing protein 1A 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)
Lysine-specific demethylase 5DA lysine-specific demethylase 5D that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BY66]Homo sapiens (human)
Histone deacetylase 8A histone deacetylase 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BY41]Homo sapiens (human)
Transient receptor potential cation channel subfamily M member 6A transient receptor potential cation channel subfamily M member 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BX84]Homo sapiens (human)
Fanconi anemia group J proteinA Fanconi anemia group J protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BX63]Homo sapiens (human)
Serine/threonine-protein kinase RIO2A serine/threonine-protein kinase RIO2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BVS4]Homo sapiens (human)
Tubulin beta-2B chainA tubulin beta-2B chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BVA1]Homo sapiens (human)
PHD finger protein 23A PHD finger protein 23 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BUL5]Homo sapiens (human)
Tubulin beta-6 chainA tubulin beta-6 chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BUF5]Homo sapiens (human)
MAP kinase-interacting serine/threonine-protein kinase 1A MAP kinase-interacting serine/threonine-protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BUB5]Homo sapiens (human)
Serine/threonine-protein kinase RIO1A serine/threonine-protein kinase RIO1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BRS2]Homo sapiens (human)
Tubulin alpha-1C chainA tubulin alpha-1C chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BQE3]Homo sapiens (human)
MyocilinA myocilin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99972]Homo sapiens (human)
Mitogen-activated protein kinase kinase kinase 3A mitogen-activated protein kinase kinase kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99759]Homo sapiens (human)
BRCA1-associated RING domain protein 1A BRCA1-associated RING domain protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99728]Homo sapiens (human)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinaseA membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99640]Homo sapiens (human)
Translin-associated protein XA translin-associated protein X that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99598]Homo sapiens (human)
Eyes absent homolog 3An eyes absent homolog 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99504]Homo sapiens (human)
Protein cereblonA protein cereblon that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96SW2]Homo sapiens (human)
Dual specificity testis-specific protein kinase 2A dual specificity testis-specific protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96S53]Homo sapiens (human)
Cyclin-dependent kinase 15A cyclin-dependent kinase 15 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96Q40]Homo sapiens (human)
Serine/threonine-protein kinase SMG1A serine/threonine-protein kinase SMG1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96Q15]Homo sapiens (human)
Serine/threonine-protein kinase LMTK3A serine/threonine-protein kinase LMTK3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96Q04]Homo sapiens (human)
Serine/threonine-protein kinase Nek1A serine/threonine-protein kinase Nek1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96PY6]Homo sapiens (human)
E3 ubiquitin-protein ligase ZFP91An E3 ubiquitin-protein ligase ZFP91 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96JP5]Homo sapiens (human)
Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidaseA peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96IV0]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 14A polypeptide N-acetylgalactosaminyltransferase 14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96FL9]Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-1An NAD-dependent protein deacetylase sirtuin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96EB6]Homo sapiens (human)
Baculoviral IAP repeat-containing protein 7A baculoviral IAP repeat-containing protein 7 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q96CA5]Homo sapiens (human)
Adiponectin receptor protein 1An adiponectin receptor protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96A54]Homo sapiens (human)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 3A sarcoplasmic/endoplasmic reticulum calcium ATPase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q93084]Homo sapiens (human)
Histone acetyltransferase KAT5A histone acetyltransferase KAT5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92993]Homo sapiens (human)
COP9 signalosome complex subunit 5A COP9 signalosome complex subunit 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92905]Homo sapiens (human)
DNA repair and recombination protein RAD54-likeA DNA repair and recombination protein RAD54-like that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92698]Homo sapiens (human)
Ubiquitin-like domain-containing CTD phosphatase 1A ubiquitin-like domain-containing CTD phosphatase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WVY7]Homo sapiens (human)
Histone deacetylase 7A histone deacetylase 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WUI4]Homo sapiens (human)
Serine/threonine-protein kinase 32AA serine/threonine-protein kinase 32A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WU08]Homo sapiens (human)
Serine/threonine-protein kinase Nek7A serine/threonine-protein kinase Nek7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TDX7]Homo sapiens (human)
Hepatitis A virus cellular receptor 2A hepatitis A virus cellular receptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TDQ0]Homo sapiens (human)
Serine/threonine-protein kinase Nek9A serine/threonine-protein kinase Nek9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TD19]Homo sapiens (human)
Phosphoethanolamine/phosphocholine phosphataseA phosphoethanolamine/phosphocholine phosphatase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TCT1]Homo sapiens (human)
Protein odd-skipped-related 1A protein odd-skipped-related 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TAX0]Homo sapiens (human)
Serine/threonine-protein kinase Nek11A serine/threonine-protein kinase Nek11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NG66]Homo sapiens (human)
Inositol polyphosphate multikinaseAn inositol polyphosphate multikinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NFU5]Homo sapiens (human)
Adenylate cyclase type 4An adenylate cyclase type 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NFM4]Homo sapiens (human)
Histone-lysine N-methyltransferase 2CA histone-lysine N-methyltransferase 2C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NEZ4]Homo sapiens (human)
Transient receptor potential cation channel subfamily V member 1A transient receptor potential cation channel TRPV1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q8NER1]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 6A polypeptide N-acetylgalactosaminyltransferase 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NCL4]Homo sapiens (human)
Diacylglycerol lipase-betaA diacylglycerol lipase-beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NCG7]Homo sapiens (human)
Cyclic GMP-AMP synthaseA protein MB21D1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N884]Homo sapiens (human)
CDGSH iron-sulfur domain-containing protein 2A CDGSH iron-sulfur domain-containing protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N5K1]Homo sapiens (human)
Fibrinogen C domain-containing protein 1A fibrinogen C domain-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N539]Homo sapiens (human)
Voltage-dependent calcium channel subunit alpha-2/delta-3A voltage-dependent calcium channel subunit alpha-2/delta-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IZS8]Homo sapiens (human)
Kinase suppressor of Ras 1A kinase suppressor of Ras 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IVT5]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 13A polypeptide N-acetylgalactosaminyltransferase 13 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IUC8]Homo sapiens (human)
Histone-lysine N-methyltransferase KMT5CA histone-lysine N-methyltransferase KMT5C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86Y97]Homo sapiens (human)
Adiponectin receptor protein 2An adiponectin receptor protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86V24]Homo sapiens (human)
Serine/threonine-protein kinase 32CA serine/threonine-protein kinase 32C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UX6]Homo sapiens (human)
Exopolyphosphatase PRUNE1An exopolyphosphatase PRUNE1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86TP1]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 10A polypeptide N-acetylgalactosaminyltransferase 10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86SR1]Homo sapiens (human)
Serine/threonine-protein kinase Nek8A serine/threonine-protein kinase Nek8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86SG6]Homo sapiens (human)
Voltage-dependent calcium channel subunit alpha-2/delta-4A voltage-dependent calcium channel subunit alpha-2/delta-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7Z3S7]Homo sapiens (human)
Ribonucleoside-diphosphate reductase subunit M2 BA ribonucleoside-diphosphate reductase subunit M2 B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7LG56]Homo sapiens (human)
Lysine-specific demethylase 3BA lysine-specific demethylase 3B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7LBC6]Homo sapiens (human)
Tubulin alpha-1A chainA tubulin alpha-1A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q71U36]Homo sapiens (human)
PH domain leucine-rich repeat-containing protein phosphatase 2A PH domain leucine-rich repeat-containing protein phosphatase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6ZVD8]Homo sapiens (human)
Indoleamine 2,3-dioxygenase 2An indoleamine 2,3-dioxygenase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6ZQW0]Homo sapiens (human)
Zinc finger protein AEBP2A zinc finger protein AEBP2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6ZN18]Homo sapiens (human)
Mitogen-activated protein kinase kinase kinase 15A mitogen-activated protein kinase kinase kinase 15 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6ZN16]Homo sapiens (human)
Nicotinate phosphoribosyltransferaseA nicotinate phosphoribosyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6XQN6]Homo sapiens (human)
Kinase suppressor of Ras 2A kinase suppressor of Ras 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6VAB6]Homo sapiens (human)
Tubulin alpha-3E chainA tubulin alpha-3E chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6PEY2]Homo sapiens (human)
Serine/threonine-protein kinase Nek5A serine/threonine-protein kinase Nek5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6P3R8]Homo sapiens (human)
Adenosine deaminase-like proteinAn adenosine deaminase-like protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6DHV7]Homo sapiens (human)
Lysine-specific demethylase 4DA lysine-specific demethylase 4D that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6B0I6]Homo sapiens (human)
Anoctamin-1An anoctamin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5XXA6]Homo sapiens (human)
Alkaline ceramidase 2An alkaline ceramidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5QJU3]Homo sapiens (human)
Ectonucleoside triphosphate diphosphohydrolase 8An ectonucleoside triphosphate diphosphohydrolase 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5MY95]Homo sapiens (human)
Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLasA guanine nucleotide-binding protein G(s) subunit alpha (human), isoforms XLas-1, XLas-2, and XLas-3. [PRO:DAN, UniProtKB:Q5JWF2]Homo sapiens (human)
Serine/threonine-protein kinase TNNI3KA serine/threonine-protein kinase TNNI3K that is encoded in the genome of human. [PRO:DAN, UniProtKB:Q59H18]Homo sapiens (human)
Histone-lysine N-methyltransferase KMT5BA histone-lysine N-methyltransferase KMT5B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q4FZB7]Homo sapiens (human)
Tubulin beta-8 chainA tubulin beta-8 chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q3ZCM7]Homo sapiens (human)
NADP-dependent malic enzyme, mitochondrialAn NADP-dependent malic enzyme, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16798]Homo sapiens (human)
Alpha-mannosidase 2An alpha-mannosidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16706]Homo sapiens (human)
Bcl-2 homologous antagonist/killerA Bcl-2 homologous antagonist/killer that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q16611]Homo sapiens (human)
Neutral amino acid transporter B(0)A neutral amino acid transporter B(0) that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15758]Homo sapiens (human)
Myosin light chain kinase, smooth muscleA myosin light chain kinase, smooth muscle that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15746]Homo sapiens (human)
Dual specificity testis-specific protein kinase 1A dual specificity testis-specific protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15569]Homo sapiens (human)
Serine/threonine-protein phosphatase 2A activatorA serine/threonine-protein phosphatase 2A regulatory subunit B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15257]Homo sapiens (human)
Serum paraoxonase/lactonase 3A serum paraoxonase/lactonase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15166]Homo sapiens (human)
Serum paraoxonase/arylesterase 2A serum paraoxonase/arylesterase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15165]Homo sapiens (human)
Serine/threonine-protein kinase D1A serine/threonine-protein kinase D1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15139]Homo sapiens (human)
Polycomb protein SUZ12A polycomb protein SUZ12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15022]Homo sapiens (human)
cGMP-inhibited 3',5'-cyclic phosphodiesterase AA cGMP-inhibited 3,5-cyclic phosphodiesterase 3A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14432]Homo sapiens (human)
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1CA dual specificity calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase 1C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14123]Homo sapiens (human)
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7AA high affinity 3,5-cyclic-AMP phosphodiesterase 7A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13946]Homo sapiens (human)
Voltage-dependent L-type calcium channel subunit alpha-1CA voltage-dependent L-type calcium channel subunit alpha-1C that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q13936]Homo sapiens (human)
Tubulin beta-2A chainA tubulin beta-2A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13885]Homo sapiens (human)
Bone morphogenetic protein receptor type-2A BMP receptor type-2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13873]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit alpha-4A sodium/potassium-transporting ATPase subunit alpha-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13733]Homo sapiens (human)
Activin receptor type-2BAn activin receptor type-2B that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13705]Homo sapiens (human)
Voltage-dependent L-type calcium channel subunit alpha-1SA voltage-dependent L-type calcium channel subunit alpha-1S that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q13698]Homo sapiens (human)
Tubulin beta-3 chainA tubulin beta-3 chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13509]Homo sapiens (human)
Short transient receptor potential channel 3A short transient receptor potential cation channel TRPC3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13507]Homo sapiens (human)
Baculoviral IAP repeat-containing protein 3A baculoviral IAP repeat-containing protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13489]Homo sapiens (human)
Rho-associated protein kinase 1A Rho-associated protein kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13464]Homo sapiens (human)
Disintegrin and metalloproteinase domain-containing protein 9A disintegrin and metalloproteinase domain-containing protein 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13443]Homo sapiens (human)
DNA-binding protein IkarosA DNA-binding protein Ikaros that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q13422]Homo sapiens (human)
cGMP-inhibited 3',5'-cyclic phosphodiesterase BA cGMP-inhibited 3,5-cyclic phosphodiesterase 3B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13370]Homo sapiens (human)
Dual specificity mitogen-activated protein kinase kinase 5A dual specificity mitogen-activated protein kinase kinase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13163]Homo sapiens (human)
5'-AMP-activated protein kinase catalytic subunit alpha-1A 5-AMP-activated protein kinase catalytic subunit alpha-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13131]Homo sapiens (human)
Krueppel-like factor 10A krueppel-like factor 10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13118]Homo sapiens (human)
Ubiquitin carboxyl-terminal hydrolase 4A ubiquitin carboxyl-terminal hydrolase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13107]Homo sapiens (human)
Acetyl-CoA carboxylase 1An acetyl-CoA carboxylase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13085]Homo sapiens (human)
Dihydropyrimidine dehydrogenase [NADP(+)]A dihydropyrimidine dehydrogenase [NADP(+)] that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12882]Homo sapiens (human)
Nucleosome-remodeling factor subunit BPTFA nucleosome-remodeling factor subunit BPTF that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12830]Homo sapiens (human)
Calcium-activated potassium channel subunit alpha-1A calcium-activated potassium channel subunit alpha-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q12791]Homo sapiens (human)
Myotonin-protein kinaseA myotonin-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q09013]Homo sapiens (human)
Tyrosine-protein kinase ITK/TSKA tyrosine-protein kinase ITK/TSK that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q08881]Homo sapiens (human)
Adenylate cyclase type 1An adenylate cyclase type 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q08828]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4DA 3,5-cyclic-AMP phosphodiesterase 4D that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q08499]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4CA 3,5-cyclic-AMP phosphodiesterase 4C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q08493]Homo sapiens (human)
Epithelial discoidin domain-containing receptor 1A discoidin domain-containing receptor 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q08345]Homo sapiens (human)
Activated CDC42 kinase 1An activated CDC42 kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07912]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4BA 3,5-cyclic-AMP phosphodiesterase 4B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07343]Homo sapiens (human)
Tyrosine-protein kinase BTKA tyrosine-protein kinase BTK that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q06187]Homo sapiens (human)
Folylpolyglutamate synthase, mitochondrialA folylpolyglutamate synthase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05932]Homo sapiens (human)
2-5A-dependent ribonucleaseA 2-5A-dependent ribonuclease that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05823]Homo sapiens (human)
Protein kinase C delta typeA protein kinase C delta type that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q05655]Homo sapiens (human)
Protein kinase C zeta typeA protein kinase C zeta type that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05513]Homo sapiens (human)
Activin receptor type-1An activin receptor type-1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q04771]Homo sapiens (human)
Protein kinase C theta typeA protein kinase C theta type that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q04759]Homo sapiens (human)
Glutamate carboxypeptidase 2A glutamate carboxypeptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04609]Homo sapiens (human)
DNA topoisomerase 2-betaA DNA topoisomerase 2-beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q02880]Homo sapiens (human)
Protein kinase C epsilon typeA protein kinase C epsilon that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q02156]Homo sapiens (human)
Guanylate cyclase soluble subunit beta-1A guanylate cyclase soluble subunit beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q02153]Homo sapiens (human)
Sodium-dependent dopamine transporter A sodium-dependent dopamine transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01959]Homo sapiens (human)
RNA-binding protein EWSAn RNA-binding protein EWS that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01844]Homo sapiens (human)
ATP-dependent 6-phosphofructokinase, platelet typeAn ATP-dependent 6-phosphofructokinase, platelet type that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Voltage-dependent L-type calcium channel subunit alpha-1D A voltage-dependent L-type calcium channel subunit alpha-1D that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q01668]Homo sapiens (human)
AMP deaminase 3An AMP deaminase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01432]Homo sapiens (human)
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1BA dual specificity calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase 1B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01064]Homo sapiens (human)
FYVE, RhoGEF and PH domain-containing protein 1A FYVE, RhoGEF and PH domain-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P98174]Homo sapiens (human)
E3 ubiquitin-protein ligase XIAPA baculoviral IAP repeat-containing protein 4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P98170]Homo sapiens (human)
4-aminobutyrate aminotransferase, mitochondrialA 4-aminobutyrate aminotransferase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P80404]Homo sapiens (human)
Endonuclease III-like protein 1An endonuclease III-like protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P78549]Homo sapiens (human)
Disintegrin and metalloproteinase domain-containing protein 17An ADAM 17 endopeptidase that is encoded in the genome of human. [PRO:WCB, UniProtKB:P78536]Homo sapiens (human)
Tubulin beta-4B chainA tubulin beta-4B chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P68371]Homo sapiens (human)
Tubulin alpha-4A chainA tubulin alpha-4A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P68366]Homo sapiens (human)
Casein kinase II subunit betaA casein kinase II subunit beta that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoformA serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform that is encoded in the genome of human. [PRO:CNA, UniProtKB:P67775]Homo sapiens (human)
Ubiquitin-40S ribosomal protein S27aA ubiquitin-ribosomal protein eS31 fusion protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62979]Homo sapiens (human)
60S ribosomal protein L37A large ribosomal subunit protein eL37 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61927]Homo sapiens (human)
60S ribosomal protein L37aA large ribosomal subunit protein eL43 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61513]Homo sapiens (human)
Anthrax toxin receptor 2An anthrax toxin receptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P58335]Homo sapiens (human)
Adenosine kinaseAn adenosine kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P55263]Homo sapiens (human)
PeregrinA peregrin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P55201]Homo sapiens (human)
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1AA dual specificity calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase 1A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54750]Homo sapiens (human)
Potassium-transporting ATPase alpha chain 2A potassium-transporting ATPase alpha chain 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54707]Homo sapiens (human)
5'-AMP-activated protein kinase catalytic subunit alpha-2A 5-AMP-activated protein kinase catalytic subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54646]Homo sapiens (human)
Voltage-dependent calcium channel subunit alpha-2/delta-1A voltage-dependent calcium channel subunit alpha-2/delta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54289]Homo sapiens (human)
LIM domain kinase 2A LIM domain kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53671]Homo sapiens (human)
LIM domain kinase 1A LIM domain kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53667]Homo sapiens (human)
Methionine aminopeptidase 1A methionine aminopeptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53582]Homo sapiens (human)
ATP-citrate synthaseAn ATP-citrate synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53396]Homo sapiens (human)
Serine/threonine-protein phosphatase 5A serine/threonine-protein phosphatase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53041]Homo sapiens (human)
Serine/threonine-protein kinase Nek3A serine/threonine-protein kinase Nek3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51956]Homo sapiens (human)
Serine/threonine-protein kinase Nek2A serine/threonine-protein kinase Nek2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51955]Homo sapiens (human)
Adenylate cyclase type 7An adenylate cyclase type 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51828]Homo sapiens (human)
Cytoplasmic tyrosine-protein kinase BMXA cytoplasmic tyrosine-protein kinase BMX that is encoded in the genome of human. [PRO:WCB, UniProtKB:P51813]Homo sapiens (human)
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'A cone cGMP-specific 3,5-cyclic phosphodiesterase subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51160]Homo sapiens (human)
Methionine aminopeptidase 2A methionine aminopeptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50579]Homo sapiens (human)
Guanine nucleotide-binding protein G(q) subunit alphaA guanine nucleotide-binding protein G(q) subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50148]Homo sapiens (human)
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrialAn NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Cysteine--tRNA ligase, cytoplasmicA cysteine--tRNA ligase, cytoplasmic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49589]Homo sapiens (human)
Tryptophan 2,3-dioxygenaseA tryptophan 2,3-dioxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48775]Homo sapiens (human)
ATP-dependent DNA helicase Q1An ATP-dependent DNA helicase Q1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46063]Homo sapiens (human)
Excitatory amino acid transporter 3An excitatory amino acid transporter 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43005]Homo sapiens (human)
Excitatory amino acid transporter 2An excitatory amino acid transporter 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43004]Homo sapiens (human)
Excitatory amino acid transporter 1An excitatory amino acid transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43003]Homo sapiens (human)
Tyrosine-protein kinase TecA tyrosine-protein kinase Tec that is encoded in the genome of human. [PRO:WCB, UniProtKB:P42680]Homo sapiens (human)
Protein kinase C iota typeA protein kinase C iota type that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41743]Homo sapiens (human)
Tyrosine-protein kinase CSKA tyrosine-protein kinase CSK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41240]Homo sapiens (human)
B-cell lymphoma 6 proteinA B-cell lymphoma 6 protein that is encoded in the genome of human. [PRO:CNA, UniProtKB:P41182]Homo sapiens (human)
Adenylate cyclase type 8An adenylate cyclase type 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P40145]Homo sapiens (human)
Squalene synthaseA squalene synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37268]Homo sapiens (human)
TGF-beta receptor type-2A TGF-beta receptor type-2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P37173]Homo sapiens (human)
Serine/threonine-protein kinase receptor R3A serine/threonine-protein kinase receptor R3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P37023]Homo sapiens (human)
TGF-beta receptor type-1A TGF-beta receptor type-1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P36897]Homo sapiens (human)
Activin receptor type-1BAn activin receptor type-1B that is encoded in the genome of human. [PRO:CNA, UniProtKB:P36896]Homo sapiens (human)
Bone morphogenetic protein receptor type-1AA BMP receptor type-1A that is encoded in the genome of human. [PRO:CNA, UniProtKB:P36894]Homo sapiens (human)
Serine/threonine-protein phosphatase PP1-gamma catalytic subunitA serine/threonine-protein phosphatase PP1-gamma catalytic subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36873]Homo sapiens (human)
7,8-dihydro-8-oxoguanine triphosphataseAn oxidized purine nucleoside triphosphate hydrolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36639]Homo sapiens (human)
Dual specificity mitogen-activated protein kinase kinase 2A dual specificity mitogen-activated protein kinase kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36507]Homo sapiens (human)
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit betaA rod cGMP-specific 3,5-cyclic phosphodiesterase subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35913]Homo sapiens (human)
Cystathionine beta-synthaseA cystathionine beta-synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35520]Homo sapiens (human)
Prostaglandin G/H synthase 2A prostaglandin G/H synthase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35354]Homo sapiens (human)
Nitric oxide synthase, inducibleA nitric oxide synthase, inducible that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35228]Homo sapiens (human)
4-hydroxyphenylpyruvate dioxygenaseA 4-hydroxyphenylpyruvate dioxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32754]Homo sapiens (human)
RAC-beta serine/threonine-protein kinaseA RAC-beta serine/threonine-protein kinase that is encoded in the genome of human. [PRO:CNA, UniProtKB:P31751]Homo sapiens (human)
DnaJ homolog subfamily A member 1A DnaJ homolog subfamily A member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31689]Homo sapiens (human)
S-adenosylmethionine synthase isoform type-2An S-adenosylmethionine synthetase isoform type-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31153]Homo sapiens (human)
Sodium- and chloride-dependent GABA transporter 1A sodium- and chloride-dependent GABA transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30531]Homo sapiens (human)
Heme oxygenase 2A heme oxygenase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30519]Homo sapiens (human)
Guanine nucleotide-binding protein subunit alpha-11A guanine nucleotide-binding protein subunit alpha-11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29992]Homo sapiens (human)
DNA repair protein complementing XP-G cellsA DNA excision repair protein ERCC-5 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
DNA polymerase delta catalytic subunitA DNA polymerase delta catalytic subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28340]Homo sapiens (human)
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrialAn NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28331]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4AA 3,5-cyclic-AMP phosphodiesterase 4A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27815]Homo sapiens (human)
DNA-(apurinic or apyrimidinic site) endonucleaseA DNA-(apurinic or apyrimidinic site) endonuclease that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27695]Homo sapiens (human)
Activin receptor type-2AAn activin receptor type-2A that is encoded in the genome of human. [PRO:CNA, UniProtKB:P27037]Homo sapiens (human)
Integrin beta-7An integrin beta-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26010]Homo sapiens (human)
Integrin alpha-3An integrin alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26006]Homo sapiens (human)
Protein kinase C eta typeA protein kinase C eta type that is encoded in the genome of human. [PRO:WCB, UniProtKB:P24723]Homo sapiens (human)
Sodium-dependent noradrenaline transporter A sodium-dependent noradrenaline transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23975]Homo sapiens (human)
Tyrosine-protein kinase JAK1A tyrosine-protein kinase JAK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23458]Homo sapiens (human)
Glycine receptor subunit alpha-2A glycine receptor subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23416]Homo sapiens (human)
Prostaglandin G/H synthase 1A prostaglandin G/H synthase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23219]Homo sapiens (human)
Nucleoside diphosphate kinase BA nucleoside diphosphate kinase B that is encoded in the genome of human. [PRO:DAN, UniProtKB:P22392]Homo sapiens (human)
Trifunctional purine biosynthetic protein adenosine-3A trifunctional purine biosynthetic protein adenosine-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22102]Homo sapiens (human)
LactoperoxidaseA lactoperoxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22079]Homo sapiens (human)
D(4) dopamine receptorA D(4) dopamine receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21917]Homo sapiens (human)
Inosine-5'-monophosphate dehydrogenase 1 An inosine-5-monophosphate dehydrogenase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20839]Homo sapiens (human)
Serine/threonine-protein kinase MAKA serine/threonine-protein kinase MAK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20794]Homo sapiens (human)
Integrin alpha-LAn integrin alpha-L that is encoded in the genome of human. [PRO:CNA, UniProtKB:P20701]Homo sapiens (human)
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrialAn NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
DNA ligase 1A DNA ligase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18858]Homo sapiens (human)
Integrin beta-6An integrin beta-6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18564]Homo sapiens (human)
Integrin beta-5An integrin beta-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18084]Homo sapiens (human)
General transcription and DNA repair factor IIH helicase subunit XPDA general transcription and DNA repair factor IIH helicase subunit XPD that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Insulin-like growth factor-binding protein 3An insulin-like growth factor-binding protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17936]Homo sapiens (human)
Integrin alpha-2An integrin alpha-2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P17301]Homo sapiens (human)
E-selectinAn E-selectin that is encoded in the genome of human. [PRO:WCB, UniProtKB:P16581]Homo sapiens (human)
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alphaA rod cGMP-specific 3,5-cyclic phosphodiesterase subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16499]Homo sapiens (human)
Methylated-DNA--protein-cysteine methyltransferaseA methylated-DNA--protein-cysteine methyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16455]Homo sapiens (human)
Pancreatic triacylglycerol lipaseA pancreatic triacylglycerol lipase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16233]Homo sapiens (human)
Proto-oncogene vavA proto-oncogene vav that is encoded in the genome of human. [PRO:CL, UniProtKB:P15498]Homo sapiens (human)
Glutamine synthetaseA glutamine synthetase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15104]Homo sapiens (human)
Indoleamine 2,3-dioxygenase 1An indoleamine 2,3-dioxygenase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14902]Homo sapiens (human)
Farnesyl pyrophosphate synthaseA farnesyl pyrophosphate synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14324]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit alpha-3A sodium/potassium-transporting ATPase subunit alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13637]Homo sapiens (human)
Integrin alpha-4An integrin alpha-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13612]Homo sapiens (human)
Inosine-5'-monophosphate dehydrogenase 2An inosine-5-monophosphate dehydrogenase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P12268]Homo sapiens (human)
Mast/stem cell growth factor receptor KitA mast/stem cell growth factor receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P10721]Homo sapiens (human)
Alkaline phosphatase, germ cell typeAn alkaline phosphatase, germ cell type that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10696]Homo sapiens (human)
Serine/threonine-protein kinase A-RafA serine/threonine-protein kinase A-Raf that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10398]Homo sapiens (human)
Tubulin alpha-3C chainA tubulin alpha-3 chain (human) that is a translation product of the TUBA3C gene in human. [PRO:DNx, UniProtKB:P0DPH7]Homo sapiens (human)
EEF1AKMT4-ECE2 readthrough transcript proteinAn EEF1AKMT4-ECE2 readthrough transcript protein that is encoded in the genome of human. [PRO:DAN, UniProtKB:P0DPD8]Homo sapiens (human)
Endothelin-converting enzyme 2An endothelin-converting enzyme 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P0DPD6]Homo sapiens (human)
Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7A bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P0C870]Homo sapiens (human)
FurinA furin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P09958]Homo sapiens (human)
Fructose-1,6-bisphosphatase 1A fructose-1,6-bisphosphatase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09467]Homo sapiens (human)
Steryl-sulfataseA steryl-sulfatase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08842]Homo sapiens (human)
Cytochrome c1, heme protein, mitochondrialA cytochrome c1, heme protein, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08574]Homo sapiens (human)
Integrin alpha-IIbAn integrin alpha-IIb that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08514]Homo sapiens (human)
Zinc finger protein GLI1A zinc finger protein GLI1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08151]Homo sapiens (human)
Trypsin-1A serine protease 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07477]Homo sapiens (human)
Tubulin beta chainA tubulin beta chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07437]Homo sapiens (human)
Asialoglycoprotein receptor 1An asialoglycoprotein receptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07306]Homo sapiens (human)
Integrin alpha-V An integrin alpha-V that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06756]Homo sapiens (human)
DNA polymerase betaA DNA polymerase beta that is encoded in the genome of human. [PRO:CNA]Homo sapiens (human)
Low affinity immunoglobulin epsilon Fc receptorA low affinity immunoglobulin epsilon Fc receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P06734]Homo sapiens (human)
Tyrosine-protein kinase FynA tyrosine-protein kinase Fyn that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06241]Homo sapiens (human)
MyeloperoxidaseA myeloperoxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05164]Homo sapiens (human)
Integrin beta-2An integrin beta-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05107]Homo sapiens (human)
Integrin beta-3An integrin beta-3 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Guanine nucleotide-binding protein G(i) subunit alpha-2A guanine nucleotide-binding protein G(i) subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04899]Homo sapiens (human)
RAF proto-oncogene serine/threonine-protein kinaseA RAF proto-oncogene serine/threonine-protein kinase that is encoded in the genome of human. [PMID:20703093, PRO:KER]Homo sapiens (human)
Alpha-crystallin B chainAn alpha-crystallin B chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02511]Homo sapiens (human)
MyoglobinA myoglobin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02144]Homo sapiens (human)
Coagulation factor IXA coagulation factor IX that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00740]Homo sapiens (human)
Coagulation factor XIII A chainA coagulation factor XIII A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00488]Homo sapiens (human)
Cytochrome c oxidase subunit 1A cytochrome c oxidase subunit 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00395]Homo sapiens (human)
Cytochrome bA cytochrome b that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00156]Homo sapiens (human)
Histone-lysine N-methyltransferase NSD2A histone-lysine N-methyltransferase NSD2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O96028]Homo sapiens (human)
Serine/threonine-protein kinase Chk2A serine/threonine-protein kinase Chk2 that is encoded in the genome of human. [OMA:O96017, PRO:DNx]Homo sapiens (human)
Geranylgeranyl pyrophosphate synthaseA geranylgeranyl pyrophosphate synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95749]Homo sapiens (human)
Bromodomain-containing protein 1A bromodomain-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95696]Homo sapiens (human)
Adenylate cyclase type 5An adenylate cyclase type 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95622]Homo sapiens (human)
NAD kinaseAn NAD kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95544]Homo sapiens (human)
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8BA high affinity cAMP-specific and IBMX-insensitive 3,5-cyclic phosphodiesterase 8B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95263]Homo sapiens (human)
Voltage-dependent T-type calcium channel subunit alpha-1HA voltage-dependent T-type calcium channel subunit alpha-1H that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95180]Homo sapiens (human)
Lysine-specific demethylase 4BA lysine-specific demethylase 4B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94953]Homo sapiens (human)
Serine/threonine-protein kinase D3A serine/threonine-protein kinase D3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94806]Homo sapiens (human)
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1An N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94760]Homo sapiens (human)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9AA high affinity cGMP-specific 3,5-cyclic phosphodiesterase 9A that is encoded in the genome of human. [PRO:DNx, UniProtKB:O76083]Homo sapiens (human)
cGMP-specific 3',5'-cyclic phosphodiesteraseA cGMP-specific 3,5-cyclic phosphodiesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O76074]Homo sapiens (human)
Serine/threonine-protein kinase PAK 3A serine/threonine-protein kinase PAK 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75914]Homo sapiens (human)
Ubiquitin carboxyl-terminal hydrolase 2A ubiquitin carboxyl-terminal hydrolase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75604]Homo sapiens (human)
Guanylate cyclase soluble subunit beta-2A guanylate cyclase soluble subunit beta-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75343]Homo sapiens (human)
NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrialAn NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrialAn NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Rho-associated protein kinase 2A Rho-associated protein kinase 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O75116]Homo sapiens (human)
Sphingomyelin phosphodiesterase 2A sphingomyelin phosphodiesterase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60906]Homo sapiens (human)
Eukaryotic translation initiation factor 5BA eukaryotic translation initiation factor 5B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60841]Homo sapiens (human)
Voltage-dependent L-type calcium channel subunit alpha-1FA voltage-dependent L-type calcium channel subunit alpha-1F that is encoded in the genome of human. [PRO:WCB, UniProtKB:O60840]Homo sapiens (human)
Protein arginine N-methyltransferase 3A protein arginine N-methyltransferase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60678]Homo sapiens (human)
Tyrosine-protein kinase JAK2A tyrosine-protein kinase JAK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60674]Homo sapiens (human)
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8AA high affinity cAMP-specific and IBMX-insensitive 3,5-cyclic phosphodiesterase 8A that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60658]Homo sapiens (human)
Adenylate cyclase type 9An adenylate cyclase type 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60503]Homo sapiens (human)
Putative nucleoside diphosphate kinaseA protein that is a translation product of the NME2P1 gene in human. [PRO:DNx, UniProtKB:O60361]Homo sapiens (human)
NUAK family SNF1-like kinase 1A NUAK family SNF1-like kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60285]Homo sapiens (human)
Adenylate cyclase type 3 An adenylate cyclase type 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60266]Homo sapiens (human)
Xaa-Pro aminopeptidase 2An Xaa-Pro aminopeptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43895]Homo sapiens (human)
Adenylate cyclase type 6An adenylate cyclase type 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43306]Homo sapiens (human)
Mitogen-activated protein kinase kinase kinase 13A mitogen-activated protein kinase kinase kinase 13 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43283]Homo sapiens (human)
Disintegrin and metalloproteinase domain-containing protein 12A disintegrin and metalloproteinase domain-containing protein 12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43184]Homo sapiens (human)
Lysine-specific demethylase 6AA lysine-specific demethylase 6A that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15550]Homo sapiens (human)
Baculoviral IAP repeat-containing protein 5A 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)
Phosphomannomutase 2A phosphomannomutase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15305]Homo sapiens (human)
Protein phosphatase 1DA protein phosphatase 1D that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15297]Homo sapiens (human)
Muscle, skeletal receptor tyrosine-protein kinaseA muscle, skeletal receptor tyrosine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15146]Homo sapiens (human)
Lysine-specific demethylase 6BA lysine-specific demethylase 6B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15054]Homo sapiens (human)
Neuropilin-1A neuropilin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14786]Homo sapiens (human)
Telomerase reverse transcriptaseA telomerase reverse transcriptase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14746]Homo sapiens (human)
Serine/threonine-protein kinase RIO3A serine/threonine-protein kinase RIO3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14730]Homo sapiens (human)
Histone-lysine N-methyltransferase 2DA histone-lysine N-methyltransferase 2D that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14686]Homo sapiens (human)
Disintegrin and metalloproteinase domain-containing protein 10A disintegrin and metalloproteinase domain-containing protein 10 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14672]Homo sapiens (human)
Citron Rho-interacting kinaseA citron Rho-interacting kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14578]Homo sapiens (human)
Acetyl-CoA carboxylase 2An acetyl-CoA carboxylase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00763]Homo sapiens (human)
Lysosomal alpha-mannosidaseA lysosomal alpha-mannosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00754]Homo sapiens (human)
Nucleoside diphosphate kinase, mitochondrialA nucleoside diphosphate kinase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00746]Homo sapiens (human)
PirinA pirin that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00625]Homo sapiens (human)
Voltage-dependent P/Q-type calcium channel subunit alpha-1AA voltage-dependent P/Q-type calcium channel subunit alpha-1A that is encoded in the genome of human. [PRO:WCB, UniProtKB:O00555]Homo sapiens (human)
Serine/threonine-protein kinase 25A serine/threonine-protein kinase 25 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O00506]Homo sapiens (human)
26S proteasome non-ATPase regulatory subunit 14A 26S proteasome non-ATPase regulatory subunit 14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00487]Homo sapiens (human)
Cell division cycle 7-related protein kinaseA cell division cycle 7-related protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00311]Homo sapiens (human)
Membrane-associated progesterone receptor component 1A membrane-associated progesterone receptor component 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00264]Homo sapiens (human)
Bone morphogenetic protein receptor type-1BA BMP receptor type-1B that is encoded in the genome of human. [PRO:CNA, UniProtKB:O00238]Homo sapiens (human)
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrialAn NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00217]Homo sapiens (human)
Lysine-specific demethylase 4EA lysine-specific demethylase 4E that is encoded in the genome of human. [PRO:DNx, UniProtKB:B2RXH2]Homo sapiens (human)
Tubulin beta 8BA tubulin that is a translation product of the TUBB8B gene in human. [PRO:DAN, UniProtKB:A6NNZ2]Homo sapiens (human)
Tubulin alpha chain-like 3A tubulin alpha chain-like 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:A6NHL2]Homo sapiens (human)

Compounds (3,743)

CompoundDefinitionClassesRoles
1,2,4-trichlorobenzene1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4.trichlorobenzene
protocatechuic acid3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.

protocatechuic acid: RN given refers to parent cpd; structure
catechols;
dihydroxybenzoic acid
antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite
2-(3-pyridine)acetic acid3-pyridylacetic acid : A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids.monocarboxylic acid;
pyridines
human xenobiotic metabolite
gamma-aminobutyric acidgamma-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 alcohol4-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-hydroxybenzaldehydehydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
4-hydroxyphenylacetic acid4-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 acid4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.monohydroxybenzoic acidalgal metabolite;
plant metabolite
acetic acidacetic 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 acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
anthranilic acidanthranilic 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 acidhuman metabolite;
mouse metabolite
quinacrinequinacrine : 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
benzenearomatic annulene;
benzenes;
volatile organic compound
carcinogenic agent;
environmental contaminant;
non-polar solvent
benzoic acidaromatic 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 acidsalgal 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
butyric acidbutyrate : 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
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
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
chlordeconecyclic ketone;
organochlorine compound
insecticide;
persistent organic pollutant
citric acid, anhydrouscitric 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 acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
salicylic acidScalp: 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 acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
digallic aciddigallic acid: structure given in first sourcebenzoate ester;
gallate ester
2,3-diaminopropionic acid3-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 acidgallate : A trihydroxybenzoate that is the conjugate base of gallic acid.trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
4-aminophenol4-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
aminophenolallergen;
metabolite
bupropionbupropion : 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
guaiacolguaiacol : 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.
guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
3,4-dihydroxyphenylacetic acid(3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.

3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.

dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.
catechols;
dihydroxyphenylacetic acid
human metabolite
fosmidomycinfosmidomycin : 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
lactic acid2-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 acidalgal metabolite;
Daphnia magna metabolite
dimethyl sulfoxidedimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.

Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.
sulfoxide;
volatile organic compound
alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
glycinealpha-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
indoleindole;
polycyclic heteroarene
Escherichia coli metabolite
thyroxine2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine;
non-proteinogenic alpha-amino acid;
tyrosine derivative
mitogen
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
acetanilideacetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term

N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group.
acetamides;
anilide
analgesic
niacinamidenicotinamide : 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
4-aminobenzoic acid4-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
palmitic acidhexadecanoic 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
phenethylamine2-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
picolinic acidpicolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.

picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206
pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
diphosphoric aciddiphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid.acyclic phosphorus acid anhydride;
phosphorus oxoacid
Escherichia coli metabolite
putrescinealkane-alpha,omega-diamineantioxidant;
fundamental metabolite
pyrazinoic acidpyrazine-2-carboxylic acid : The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide.

pyrazinoic acid: active metabolite of pyrazinamide; structure
pyrazinecarboxylic acidantitubercular agent;
drug metabolite
pyridineazine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines
environmental contaminant;
NMR chemical shift reference compound
pyrogallolbenzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.benzenetriol;
phenolic donor
plant metabolite
quinolinic acidpyridinedicarboxylic 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 acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist
spermidinepolyazaalkane;
triamine
autophagy inducer;
fundamental metabolite;
geroprotector
sperminepolyazaalkane;
tetramine
antioxidant;
fundamental metabolite;
immunosuppressive agent
succinic acidsuccinic 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
tryptamineaminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines
human metabolite;
mouse metabolite;
plant metabolite
uracil2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorderpyrimidine nucleobase;
pyrimidone
allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
vanillinVanilla: 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
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acidalpha-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
gallopamilGallopamil: Coronary vasodilator that is an analog of iproveratril (VERAPAMIL) with one more methoxy group on the benzene ring.benzenes;
organic amino compound
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin2-(N-phenethyl-N-propyl)amino-5-hydroxytetralin: potent, specific D2 dopamine receptor agonist; RN given refers to parent cpdtetralins
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoatecatechin
2-(6-methoxy-2-naphthalenyl)propanoic acidnaphthalenes
1,10-phenanthroline1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinasesphenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-dipropyl-8-cyclopentylxanthineDPCPX : An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
my 5445MY 5445: potential platelet aggregation inhibitorpyridazines;
ring assembly
1-(3-chlorophenyl)biguanide1-(3-chlorophenyl)biguanide: RN given refers to parent cp; a 5-HT3 receptor agonistbiguanides;
monochlorobenzenes
edelfosine1-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 173074aromatic 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
n-(3-(aminomethyl)benzyl)acetamidineN-(3-(aminomethyl)benzyl)acetamidine: structure in first source

N-[3-(aminomethyl)benzyl]acetamidine : An aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase.
aralkylamine;
carboxamidine;
primary amino compound
angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector
hoe 33342BXI-72: structure in first sourcebibenzimidazole;
N-methylpiperazine
fluorochrome
2,2'-dipyridyl2,2'-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.
bipyridinechelator;
ferroptosis inhibitor
2,4-dinitrophenol2,4-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.
dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
2-amino-4-picoline2-amino-4-picoline: RN given refers to parent cpd
monomethylpropion2-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 borate2-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-dichloroisocoumarin3,4-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-methylenedioxyamphetamine3,4-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-methylenedioxyamphetamine3,4-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-bromo-7-nitroindazole
3-methylcholanthrene3-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 arenearyl hydrocarbon receptor agonist;
carcinogenic agent
3-nitropropionic acid3-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 compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octanediarylmethane
4,5,6,7-tetrabromo-2-azabenzimidazole4,5,6,7-tetrabromobenzotriazole: a CK2 kinase inhibitor
cgp 524114,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups.

4,5-dianilinophthalimide: structure given in first source
phthalimidesgeroprotector;
tyrosine kinase inhibitor
4-(2-aminoethyl)benzenesulfonylfluoride
4-amino-1,8-naphthalimide4-amino-1,8-naphthalimide: inhibits ADP-ribosylation; sometimes abreviated as 4-AN;benzoisoquinoline;
dicarboximide
4-hydroxybenzoic acid hydrazide4-hydroxybenzohydrazide : A carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine.

4-hydroxybenzoic acid hydrazide: metabolite of nifuroxazide
carbohydrazide;
phenols
4-iodine-benzo(b)thiophene-2-carboxamidine
4-nonylphenol4-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
phenolsenvironmental contaminant
4-phenyl-3-furoxancarbonitrile4-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
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
5-(n,n-hexamethylene)amiloride5-(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
5-(nonyloxy)tryptamine5-(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
phenanthridonephenanthridone : 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
7,8-dihydroxyflavone7,8-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.dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
7-nitroindazole7-nitroindazole: an inhibitor of nitric oxide synthase; exhibits anti-nociceptive activity without increasing blood pressure
oxyquinolineOxyquinoline: 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.
monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
tacrinetacrine : 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-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
abt 702bipyridines
acetaminophenAcetaminophen: 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
acetazolamideAcetazolamide: 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
ethacridineEthacridine: A topically applied anti-infective agent.acridines
tyrphostin ag 1024tyrphostin AG 1024: modulates radiosensitivity in human breast cancer cells; also an IGF1 receptor inhibitoralkylbenzene
rtki cpdaromatic ether;
monochlorobenzenes;
quinazolines
antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
tyrphostin 25benzenetriol
albendazolearyl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
albuterolalbuterol : 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
alendronatealendronic 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
alfuzosinalfuzosin: structure given in first sourcemonocarboxylic acid amide;
quinazolines;
tetrahydrofuranol
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
ametantroneametantrone: RN given refers to parent cpd; structure
amfenacamfenac : An oxo monocarboxylic acid that is benzophenone in which one of the phenyl groups is substituted by an amino group and a carboxymethyl group at position 2 and 3, respectively. The corresponding carboxamide, nepafenac, is a prodrug of amfenac and is used for the treatment of pain and inflammation following cataract surgery.

amfenac: RN given refers to parent cpd; structure
amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
pimagedineaminoguanidine : 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
ampyroneAmpyrone: A metabolite of AMINOPYRINE with analgesic and anti-inflammatory properties. It is used as a reagent for biochemical reactions producing peroxides or phenols. Ampyrone stimulates LIVER MICROSOMES and is also used to measure extracellular water.primary amino compound;
pyrazolone
antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
theophyllinedimethylxanthineadenosine 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
amiodaroneamiodarone : 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
amitriptylineamitriptyline : 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
amlodipineamlodipine : 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
amoxapineamoxapine : 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.
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
amsacrineamsacrine : 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
anisindioneanisindione : 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
anthralinanthralin : 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.
anthracenesantipsoriatic
antipyrineantipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.

Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29)
pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
n'-(3-aminopropyl)homospermidine
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diolaporphine alkaloid
aspirinacetylsalicylate : 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
astemizoleastemizole : 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
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionatealpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate: a glutamate agonistalpha-amino acid
aurintricarboxylic acidaurintricarboxylic 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
benzamidinebenzamidine : A carboxamidine that is benzene carrying an amidino group.

benzamidine: RN given refers to parent cpd
benzenes;
carboxamidine
serine protease inhibitor
benzbromaronebenzbromarone : 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)pyreneBenzo(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 arenecarcinogenic agent;
mouse metabolite
benzyl isothiocyanatebenzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinomabenzenes;
isothiocyanate
antibacterial drug
bepridilbepridil : 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
berberinealkaloid 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
diminazenediminazene : 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
beta-naphthoflavonebeta-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
propiolactonePropiolactone: 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-butylhydroquinone2,5-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
bay h 45021-[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)methanebis(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
bisacodylBisacodyl: A diphenylmethane stimulant laxative used for the treatment of CONSTIPATION and for bowel evacuation. (From Martindale, The Extra Pharmacopoeia, 30th ed, p871)diarylmethane
bisbenzimidazoleBisbenzimidazole: A benzimidazole antifilarial agent; it is fluorescent when it binds to certain nucleotides in DNA, thus providing a tool for the study of DNA replication; it also interferes with mitosis.bibenzimidazole;
N-methylpiperazine
anthelminthic drug;
fluorochrome
bisindolylmaleimide ibisindolylmaleimide I: a bis(indolyl)maleimide
bisindolylmaleimide ivindoles;
maleimides
bisindolylmaleimide vbisindolylmaleimide V: used as a negative control compound for protein kinase C inhibition; structure in first source;indoles
ro 31-8425
bithionolbithionol : 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
bml 190indomethacin morpholinylamide: an inverse agonist of the cannabinoid CB2 receptorN-acylindole
broxyquinolinebroxyquinoline: structureorganohalogen compound;
quinolines
ym 58483
bufexamacbufexamac : 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
bumetanideamino acid;
benzoic acids;
sulfonamide
diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
busulfanmethanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butenafinebutenafine : 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
caffeinepurine 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
verapamil2-(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
camostatcamostat : 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 cilexetilcandesartan cilexetil: a prodrug which is metabolized to an active form candesartan to exert its biological effectsbiphenyls
candesartancandesartan : 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
cannabinolCannabinol: A physiologically inactive constituent of Cannabis sativa L.dibenzopyran
cantharidinfurofuran
carprofencarprofen : 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
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
carbonyl cyanide m-chlorophenyl hydrazoneCarbonyl 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
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
chelerythrinechelerythrine : 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
chloroquinechloroquine : 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
chloroxinechloroxine : 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
chlorpromazinechlorpromazine : 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
chromone-2-carboxylic acidchromones
ci 994tacedinaline : 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
cifenlinediarylmethane
ciclopiroxcyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone
antibacterial agent;
antiseborrheic
ciglitazoneciglitazone : 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
cilostamidecilostamide: selective inhibitor of cyclic AMP phosphodiesterase & platelet aggregation; structurequinolines
cilostazollactam;
tetrazoles
anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
cimetidinecimetidine : 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
ciprofloxacinciprofloxacin : 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
cisapridecisapride : 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
citalopram1-[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
5,7-dimethoxycoumarin5,7-dimethoxycoumarin: has photobiological activitycoumarins
cleboprideclebopride: antidopaminergic; RN given refers to parent cpd; structurepiperidines
clemizoleclemizole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a pyrrolidin-1-ylmethyl and a 4-chlorobenzyl groups at positions 2 and 1 respectively.

clemizole: was heading 1966-94 (see under BENZIMIDAZOLES 1966-90); use BENZIMIDAZOLES to search CLEMIZOLE 1966-94; a histamine H1- blocker used to treat allergies
benzimidazoles;
monochlorobenzenes;
pyrrolidines
histamine antagonist
clioquinol5-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
clofoctoldiarylmethane
clomipramineclomipramine : 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.
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
cloxyquincloxyquin: has antitubercular activity; structure in first sourceorganochlorine compound;
quinolines
cycloleucine1-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 acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyproheptadinecyproheptadine : 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
indibulinindibulin: Tubulin Modulator/Antineoplastic Agent; structure in first source
damnacanthaldamnacanthal: structure given in first source; isolated from the stem bark and roots of Morinda lucida; a selective inhibitor of p56(lck) tyrosine kinase activityaldehyde;
monohydroxyanthraquinone
dapsonesubstituted aniline;
sulfone
anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferipronedeferiprone : A member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia.

Deferiprone: A pyridone derivative and iron chelator that is used in the treatment of IRON OVERLOAD in patients with THALASSEMIA.
4-pyridonesiron chelator;
protective agent
denbufyllinedenbufylline: structure given in first sourceoxopurine
dephostatindephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source
dequaliniumdequalinium : 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 ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
desipraminedesipramine : 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
eflornithineeflornithine : A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2.

Eflornithine: An inhibitor of ORNITHINE DECARBOXYLASE, the rate limiting enzyme of the polyamine biosynthetic pathway.
alpha-amino acid;
fluoroamino acid
trypanocidal drug
r 59022R 59022: diacylglycerol kinase inhibitor; structure given in first source; platelet activator factor antagonistdiarylmethane
diazepamdiazepam : 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
diazinondiazinon : 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
diclofenacdiclofenac : 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
dichlorophenDichlorophen: 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
diflunisaldiflunisal : 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
diphenhydramineantitussive : 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
diphenyleneiodoniumdibenziodolium : 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
benzophenonebenzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.benzophenonesphotosensitizing agent;
plant metabolite
dipyridamoledipyridamole : 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
disopyramidedisopyramide : 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
disulfiramorganic 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 acidvalproic 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
p-chloroamphetaminep-Chloroamphetamine: Chlorinated analog of AMPHETAMINE. Potent neurotoxin that causes release and eventually depletion of serotonin in the CNS. It is used as a research tool.
thiorphanThiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone2,3-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
domperidonedomperidone : 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
donepezil2-[(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
doxazosindoxazosin : 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
doxepindoxepin : 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
droperidoldroperidol : 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
dup 697DuP 697: structure given in first sourcethiophenes
ebastineorganic molecular entity
ebselenebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.benzoselenazoleanti-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
econazole1-{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
9-(2-hydroxy-3-nonyl)adenine9-(2-hydroxy-3-nonyl)adenine: specific inhibitor of adenosine deaminase
ellipticineellipticine : 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
embelinembelin : 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-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
emodinemodin : 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.
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
enoxacinenoxacin : 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
etazolateetazolate : A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties.

Etazolate: A potent phosphodiesterase inhibitor proposed as an antipsychotic agent.
ethyl ester;
hydrazone;
pyrazolopyridine
alpha-secretase activator;
antidepressant;
antipsychotic agent;
anxiolytic drug;
GABA agent;
neuroprotective agent;
phosphodiesterase IV inhibitor
ethacrynic acidetacrynic 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
etodolacetodolac : 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)isothioureaS-ethyl N-(4-(trifluoromethyl)phenyl)isothiourea: structure in first source
carbonyl cyanide p-trifluoromethoxyphenylhydrazonecarbonyl 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 acidbiphenyl-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
fenbendazolefenbendazole : 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
fenofibratePharmavit: 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 CHEMLINEaromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fenoldopamFenoldopam: A dopamine D1 receptor agonist that is used as an antihypertensive agent. It lowers blood pressure through arteriolar vasodilation.benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
fenoprofenfenoprofen : A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding.

Fenoprofen: A propionic acid derivative that is used as a non-steroidal anti-inflammatory agent.
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fentanylfentanyl : 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
flecainideflecainide : 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
fluconazolefluconazole : 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
flufenamic acidflufenamic 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
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluoxetinefluoxetine : 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
flurbiprofenflurbiprofen : 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
fluspirileneFluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.diarylmethane
foscarnetFoscarnet: An antiviral agent used in the treatment of cytomegalovirus retinitis. Foscarnet also shows activity against human herpesviruses and HIV.

phosphonoformic acid : Phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.
carboxylic acid;
one-carbon compound;
phosphonic acids
antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
fosfosalfosfosal: reagent for testing the activity of certain enzymesaryl phosphate
furosemidefurosemide : 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
vanoxerinevanoxerine : 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 129351-[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
gemfibrozilaromatic etherantilipemic drug
glyburideglyburide : 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
go 6976indolocarbazole;
organic heterohexacyclic compound
EC 2.7.11.13 (protein kinase C) inhibitor
gossypolGossypol: 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.
guanethidineguanethidine : A member of the class of guanidines in which one of the hydrogens of the amino group has been replaced by a 2-azocan-1-ylethyl group.

guanethidine sulfate : A organic sulfate salt composed of two molecules of guanethidine and one of sulfuric acid.

Guanethidine: An antihypertensive agent that acts by inhibiting selectively transmission in post-ganglionic adrenergic nerves. It is believed to act mainly by preventing the release of norepinephrine at nerve endings and causes depletion of norepinephrine in peripheral sympathetic nerve terminals as well as in tissues.
azocanes;
guanidines
adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
guvacineguvacine : 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
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamideisoquinolines;
sulfonamide
n-(2-aminoethyl)-5-isoquinolinesulfonamide
1-(5-isoquinolinesulfonyl)piperazineisoquinolines
ha 1004N-(2-guanidinoethyl)-5-isoquinolinesulfonamide: structure given in first sourceisoquinolines
fasudilfasudil : 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
haloperidolhaloperidol : 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
haloproginhaloprogin: minor descriptor (73-86); on-line & INDEX MEDICUS search PHENYL ETHERS (73-86)aromatic ether
halothanehaloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound
inhalation anaesthetic
harmalolharmalol : 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 alkaloidalgal metabolite;
EC 1.4.3.4 (monoamine oxidase) inhibitor
hexachlorophenehexachlorophene : 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
hexylresorcinolresorcinols
beta-thujaplicinbeta-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
hycanthonehycanthone : 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.
thioxanthenesmutagen;
schistosomicide drug
hydralazinehydralazine : 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
hydroxychloroquinehydroxychloroquine : 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
hypericin
ibudilastpyrazolopyridine
ibuprofenMidol: combination of cinnamedrine, phenacetin, aspirin & caffeinemonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzinePhenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.primary amine
batyl alcoholbatilol : An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.

batyl alcohol: RN given refers to cpd without isomeric designation
alkylglycerol
imipramineimipramine : 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.
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinoneamrinone : 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.
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
incadronate1,1-bis(phosphonic acid)
indirubin-3'-monoximeindirubin-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
indomethacinindometacin : 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
indoprofenindoprofen : 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
iodoacetamide
iodoquinoliodoquinol : 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
ipriflavoneipriflavone : 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
1-methyl-3-isobutylxanthine1-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
isoconazole1-{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
isoniazidHydra: 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).
carbohydrazideantitubercular agent;
drug allergen
isoproterenolisoprenaline : 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
isradipineIsradipine: A potent antagonist of CALCIUM CHANNELS that is highly selective for VASCULAR SMOOTH MUSCLE. It is effective in the treatment of chronic stable angina pectoris, hypertension, and congestive cardiac failure.benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazolepiperazines
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
whi p154WHI P154: an anti-leukemic agent; structure in first source
whi p97quinazolines
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanoneZM39923: structure in first sourcenaphthalenes
1-(2-naphthalenyl)-2-propen-1-onenaphthalenes
jl 18JL 18: a pyridobenzodiazepine derivative bioisoster of clozapine
juglonejuglone : 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-naphthoquinonegeroprotector;
herbicide;
reactive oxygen species generator
staurosporine aglyconestaurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor
nsc 664704kenpaullone : 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
ketanserinketanserin : 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
ketoconazole1-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
ketoprofenketoprofen : 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
ketorolac5-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
kinetincytokinin : A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots.

kinetin : A member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group.

Kinetin: A furanyl adenine found in PLANTS and FUNGI. It has plant growth regulation effects.
6-aminopurines;
furans
cytokinin;
geroprotector
labetalol2-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
lamotrigine1,2,4-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
lansoprazoleLansoprazole: 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
beta-lapachonebeta-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
leflunomideleflunomide : 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
letrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lidoflazineLidoflazine: Coronary vasodilator with some antiarrhythmic action.diarylmethane
loperamideloperamide : 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
loratadineloratadine : 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
losartanlosartan : 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
loxapineLoxapine: An antipsychotic agent used in SCHIZOPHRENIA.dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
loxoprofenloxoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration.

loxoprofen: RN given refers to parent cpd without isomeric designation; structure in first source
cyclopentanones;
monocarboxylic acid
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
ly 171883LY 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-one2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first sourcechromones;
morpholines;
organochlorine compound
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
6-anilino-5,8-quinolinedione6-anilino-5,8-quinolinedione : A quinolone that is quinoline-5,8-dione in which the hydrogen at position 6 is replaced by an anilino group.

6-anilino-5,8-quinolinedione: structure given in first source; SRS-A & guanylate cyclase antagonist
aminoquinoline;
aromatic amine;
p-quinones;
quinolone
antineoplastic agent;
EC 4.6.1.2 (guanylate cyclase) inhibitor
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide4-(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
maprotilineMaprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use.anthracenes
mazindolMazindol: 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
mebendazolemebendazole : 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 acidmeclofenamic 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 anhydrousorganic sodium salt
mefenamic acidmefenamic 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
vitamin k 3Vitamin 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
mesalaminemesalamine : 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
methadone6-(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
methapyrilenemethapyrilene : 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 derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methoctraminearomatic ether;
tetramine
muscarinic antagonist
doxorubicin hydrochloridefolic acids
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
methyl parathionMethyl 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
methyl methanesulfonatemethanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
methylphenidatemethyl 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
metoclopramidemetoclopramide : 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
metronidazolemetronidazole : 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
mexiletinemexiletine : 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
mianserinmianserin : 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.
dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole1-[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
milrinonebipyridines;
nitrile;
pyridone
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
minaprineminaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structuremorpholines;
pyridazines;
secondary amine
antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
mirtazapineMirtazapine: 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
mitotaneMitotane: 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
mitoxantronemitoxantrone : 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.
dihydroxyanthraquinoneanalgesic;
antineoplastic agent
ml 7ML-7 : An N-sulfonyldiazepane resullting from the formal condensation of 5-iodo-1-naphthylsulfonic acid with one of the nitrogens of 1,4-diazepane. It is a selective inhibitor of myosin light chain kinase (EC 2.7.11.18).N-sulfonyldiazepane;
organoiodine compound
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
ml 9naphthalenes;
sulfonic acid derivative
modafinil2-[(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
mofezolacmofezolac: Cyclooxygenase 1 inhibitor; structure in first source; RN from Toxlitmethoxybenzenes
mosapramine1'-[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
entinostatbenzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
myoseverinmyoseverin: a micotubule-binding molecule with cellular effects; structure in first source
lm 4108indomethacin phenethylamide: a cyclooxygenase-2 inhibitor; structure in first sourceN-acylindole
fidexabanFidexaban: structure in first source
way 151693
fg 7142FG 7142: benzodiazepine receptor agonistbeta-carbolines
deoxyepinephrineDeoxyepinephrine: Sympathomimetic, vasoconstrictor agent.catecholamine
fenamic acidfenamic 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
n(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidideN(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide: thrombin inhibitor; RN given refers to parent cpd without isomeric designation
etoposide phosphate
nabumetonenabumetone : 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
nafamostatnafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplasticbenzoic acids;
guanidines
nalidixic acid1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefazodonenefazodone: may be useful as an opiate adjunctaromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nemonaprideN-(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
netropsinNetropsin: A basic polypeptide isolated from Streptomyces netropsis. It is cytotoxic and its strong, specific binding to A-T areas of DNA is useful to genetics research.
nevirapinenevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.

Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.
cyclopropanes;
dipyridodiazepine
antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamideNialamide: An MAO inhibitor that is used as an antidepressive agent.organonitrogen compound;
organooxygen compound
nicardipine2-[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
niclosamideniclosamide : 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
nifedipineNifedipine: 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
niflumic acidNiflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.aromatic carboxylic acid;
pyridines
nimesulidenimesulide : 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
nimodipinenimodipine : 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 acidnipecotic 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
nisoldipinemethyl 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
nisoxetinenisoxetine : 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
nitrendipinenitrendipine : 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
nomifensinenomifensine : 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)
isoquinolinesdopamine uptake inhibitor
masoprocolnordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)catechols;
lignan;
tetrol
antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
norfloxacinnorfloxacin : 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
nortriptylinenortriptyline : 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
ns 1619NS 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
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamideN-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide: structure given in first source

NS-398 : A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2.
aromatic ether;
C-nitro compound;
sulfonamide
antineoplastic agent;
cyclooxygenase 2 inhibitor
nu2058NU2058: structure in first source
nu6102NU6102: structure in first source
o(6)-benzylguanineO(6)-benzylguanine: a suicide inhibitor of O(6)-methylguanine-DNA methyltransferase activity
ofloxacin9-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
omeprazole5-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
ondansetronOndansetron: 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
orphenadrineorphenadrine : 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
oxaprozinoxaprozin : 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
oxybutyninoxybutynin : 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
oxyphenbutazoneoxyphenbutazone : 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
palmidrolpalmidrol: 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
pamidronatephosphonoacetic acid
pantoprazolepantoprazole : 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
papaverinepapaverine : 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
pargylinePargyline: A monoamine oxidase inhibitor with antihypertensive properties.aromatic amine
patulinpatulin : 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 1530354-((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 158780aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pd168393PD 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 980592-(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
pemolinepemoline : A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted by an amino group at position 2 and by a phenyl group at position 5. A central nervous system stimulant, it was used to treat hyperactivity disorders in children, but withdrawn from use following reports of serious hepatotoxicity.

Pemoline: A central nervous system stimulant used in fatigue and depressive states and to treat hyperkinetic disorders in children.
1,3-oxazolescentral nervous system stimulant
pentamidinepentamidine : 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
pentobarbitalpentobarbital : 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)
barbituratesGABAA receptor agonist
pentoxifyllineoxopurine
perhexilinePerhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.piperidinescardiovascular drug
perphenazineperphenazine : 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
phenazopyridinephenazopyridine : A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. 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.

Phenazopyridine: A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.
diaminopyridine;
monoazo compound
anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
phenindionePhenindione: 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
phenolphthaleinPhenolphthalein: 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
4-phenylbutyric acid4-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 acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
phenyl biguanidephenyl 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
guanidinescentral nervous system drug
phenylbutazonephenylbutazone : 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.
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
phosphoglycolohydroxamatephosphoglycolohydroxamate: 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
pifithrinpifithrin: a tetrahydrobenzothiazol; inhibitor of P53 that protects mice from the side effects of cancer therapy; structure in first sourcearomatic ketone
pioglitazonepioglitazone : 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
pipobromanpipobroman : 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
pirenzepinePirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients.pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
piretanidepiretanide: potent inhibitor of chloride transport; structurearomatic ether
piribedilPiribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist.N-arylpiperazine
pj-34PJ34 : 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
pomiferinpomiferin: structure in first sourceisoflavanones
1-NA-PP1pyrazolopyrimidinetyrosine kinase inhibitor
ag 18793-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitoraromatic amine;
monochlorobenzenes;
pyrazolopyrimidine
beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
prazosinprazosin : 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
primaquineprimaquine : 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
procainamideprocainamide : 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.
benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
prochlorperazineprochlorperazine : 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
promazinepromazine : 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
promethazinepromethazine : 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
propachlorpropachlor : An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent.

propachlor: structure
anilide;
monocarboxylic acid amide;
organochlorine compound
environmental contaminant;
herbicide;
xenobiotic
propafenonepropafenone : 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
propofolpropofol : 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.
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranololpropranolol : 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 gallatePropyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.trihydroxybenzoic acid
protoporphyrin ixprotoporphyrin : 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
protriptylineProtriptyline: Tricyclic antidepressant similar in action and side effects to IMIPRAMINE. It may produce excitation.carbotricyclic compoundantidepressant
proxyphyllineoxopurine
pyrilaminemepyramine : 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
pyrimethamineMaloprim: contains above 2 cpdsaminopyrimidine;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
pyroxamidearomatic amide
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
1,2,5,8-tetrahydroxy anthraquinone1,2,5,8-tetrahydroxy anthraquinone: structure in first source

quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions.
tetrahydroxyanthraquinoneEC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
quipazineQuipazine: 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
rabeprazoleRabeprazole: 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-oneindoles
raloxifeneraloxifene : 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
rbi 257RBI 257: ligand for dopamine D4 receptors; structure in first source
pf 5901alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonistquinolines
1,6-bis(cyclohexyloximinocarbonyl)hexane1,6-bis(cyclohexyloximinocarbonyl)hexane: selective inhibitor of canine platelet diglyceride lipasecarbamate ester;
organonitrogen compound
riluzoleRiluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.benzothiazoles
risperidonerisperidone : 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
ritanserinritanserin : 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
ro 31-8220Ro 31-8220: a protein kinase C inhibitorimidothiocarbamic ester;
indoles;
maleimides
EC 2.7.11.13 (protein kinase C) inhibitor
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases.methoxybenzenes
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ropiniroleindolones;
tertiary amine
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
aurinaurin: structurediarylmethane
roxarsoneroxarsone : 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-propylpiperidine3-(3-cyanophenyl)-N-n-propylpiperidine: a dopamine autoreceptor antagonist; RN given for (+-)-isomer
etironetiron: a nitric oxide synthase inhibitor; RN given refers to parent cpd; structure
s-methylisothiopseudouroniumS-methylisothiopseudouronium: inhibits nitric oxide synthase; structure in first source
saccharinsaccharin : 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
sanguinarinebenzophenanthridine 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 206553SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first sourcepyrroloindole
sb 239063SB 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 2021904-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinaseimidazoles;
organofluorine compound;
phenols;
pyridines
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
suberoyl bis-hydroxamic acidsuberoyl bis-hydroxamic acid: antineoplastic, Histone Deacetylase inhibitorhydroxamic acid
scriptaidscriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first sourceisoquinolines
sibutraminesibutramine: serotonin and norepinephrine transporter inhibitor; Meridia is tradename for sibutramine hydrochlorideorganochlorine compound;
tertiary amino compound
anti-obesity agent;
serotonin uptake inhibitor
silymarinflavonolignan
risedronic acidRisedronic Acid: A pyridine and diphosphonic acid derivative that acts as a CALCIUM CHANNEL BLOCKER and inhibits BONE RESORPTION.pyridines
sotalolsotalol : 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 saltsodium phenylbutyrate : The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders.organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
spiperonespiperone : 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
fenofibratebenzochromenone;
delta-lactone;
naphtho-alpha-pyrone
platelet aggregation inhibitor;
Sir2 inhibitor
stearic acidoctadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
streptonigrinpyridines;
quinolone
antimicrobial agent;
antineoplastic agent
vorinostatvorinostat : 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
succinylacetone4,6-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
sulconazole1-{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
sulfaguanidinesulfaguanidine : A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine

Sulfaguanidine: A sulfanilamide antimicrobial agent that is used to treat enteric infections.
sulfonamide antibioticantiinfective agent
sulfamethoxazolesulfamethoxazole : 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
sulfanilamidesubstituted aniline;
sulfonamide;
sulfonamide antibiotic
antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfasalazinesulfasalazine : 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)
sulfathiazolesulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.

Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.
1,3-thiazoles;
substituted aniline;
sulfonamide;
sulfonamide antibiotic
antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sulfinpyrazoneSulfinpyrazone: 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
sulfisomidinesulfisomidine : A sulfonamide consisting of pyrimidine having methyl substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.

Sulfisomidine: A sulfanilamide antibacterial agent.
pyrimidines;
sulfonamide;
sulfonamide antibiotic
antiinfective agent
sulmazolesulmazole : An imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardiotonic agent.

sulmazole: structure given in first source
imidazopyridine;
sulfoxide
adenosine A1 receptor antagonist;
cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
sulpiridesulpiride : 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
sumatriptansumatriptan : 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
suraminsuramin : 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
gatifloxacingatifloxacin : 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
terfenadineTerfenadine: 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
thalidomide2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.

thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.

Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.
phthalimides;
piperidones
thiabendazoleTresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles
antifungal agrochemical;
antinematodal drug
2-thiosalicylic acid2-thiosalicylic acid: a degradation product of thimerosal; RN given refers to parent cpd

thiosalicylic acid : A sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid.
sulfanylbenzoic acidantipyretic;
non-narcotic analgesic
thioridazinethioridazine : 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
thiramthiram : 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 disulfideantibacterial drug;
antifungal agrochemical;
antiseptic drug
ticlopidineticlopidine : 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.

Ticlopidine: An effective inhibitor of platelet aggregation commonly used in the placement of STENTS in CORONARY ARTERIES.
monochlorobenzenes;
thienopyridine
anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tofisopamtofisopam: structure; dextofisopam is the R-enantiomer of tofisopam & antidiarrhealorganic molecular entity
tolmetintolmetin : 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
ici 136,753pyrazolopyridine
ultram2-[(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
trequinsintrequinsin: RN given refers to parent cpd; structure given in first sourcepyridopyrimidine
triacetintriacetin : 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.
triglycerideadjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent
triamterenetriamterene : 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.
pteridinesdiuretic;
sodium channel blocker
triclosanaromatic 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
trifluoperazineN-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
trifluperidolTrifluperidol: 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
triflupromazinetriflupromazine : 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
trigonellineN-methylnicotinate : An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group.

N-methylnicotinic acid : A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.

trigonelline: in hydra among other organisms; RN given refers to hydroxide inner salt; structure
alkaloid;
iminium betaine
food component;
human urinary metabolite;
plant metabolite
trimethoprimtrimethoprim : 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
tyrphostin a9alkylbenzenegeroprotector
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-dodeconecyclodepsipeptide
venlafaxinevenlafaxine : 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
vesnarinoneorganic molecular entity
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
viloxazineViloxazine: A morpholine derivative used as an antidepressant. It is similar in action to IMIPRAMINE.aromatic ether
w 7W 7: RN given refers to parent cpd; structure; calmodulin antagonist
n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-n-(2-pyridinyl)cyclohexanecarboxamidepiperazines
pirinixic acidpirinixic acid: structurearyl sulfide;
organochlorine compound;
pyrimidines
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole3-(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
zardaverinezardaverine : A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4.

zardaverine: structure given in first source
organofluorine compound;
pyridazinone
anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug
zm 336372N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first sourcebenzamides
zomepiraczomepirac: RN given refers to parent cpd; structurearomatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles
cardiovascular drug;
non-steroidal anti-inflammatory drug
zotepinezotepine: structuredibenzothiepine;
tertiary amino compound
alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
mitomycinmitomycin : 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.
mitomycinalkylating agent;
antineoplastic agent
prednisoloneprednisolone : 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
lysergic acid diethylamidelysergic 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
alloxanalloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups.

Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.
pyrimidonehyperglycemic agent;
metabolite
2,5-dichlorobenzoic acid2,5-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
hydroxyprolinehydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.

Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.
4-hydroxyproline;
L-alpha-amino acid zwitterion
human metabolite;
mouse metabolite;
plant metabolite
3,4-dichlorobenzoic acid3,4-dichlorobenzoic acid : A chlorobenzoic acid carrying chloro substituents at positions 3 and 4.

3,4-dichlorobenzoic acid: structure given in first source
chlorobenzoic acid
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-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
cysteinecysteine;
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
estroneHydroxyestrones: 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
nadpNADPfundamental metabolite
nadNADgeroprotector
dichlororibofuranosylbenzimidazoleDichlororibofuranosylbenzimidazole: 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-acetylaminofluorene2-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-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
azauridineAzauridine: 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-triazineantimetabolite;
antineoplastic agent;
drug metabolite
isonicotinic acidisonicotinic acid : A pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring.pyridinemonocarboxylic acidalgal metabolite;
human metabolite
mechlorethamine hydrochloridemechlorethamine hydrochloride : The hydrochloride salt of mechlorethamine.hydrochlorideantineoplastic agent
cantharidincantharidin : 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
serineserine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.

Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.
L-alpha-amino acid;
proteinogenic amino acid;
serine;
serine family amino acid;
serine zwitterion
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
chloramphenicolAmphenicol: 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 acidaspartic 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
glutamineglutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.

Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.

L-glutamine : An optically active form of glutamine having L-configuration.
amino acid zwitterion;
glutamine;
glutamine family amino acid;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
allyl isothiocyanateallyl 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 bromidecetyltrimethylammonium 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
vincristineacetate 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
ethinyl estradiol17alpha-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
apomorphineApomorphine: 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 alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
aminopyrineaminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties.

Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.
pyrazolone;
tertiary amino compound
antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
uridineuridinesdrug metabolite;
fundamental metabolite;
human metabolite
uridine monophosphateuridine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase.

Uridine Monophosphate: 5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.
pyrimidine ribonucleoside 5'-monophosphate;
uridine 5'-phosphate
Escherichia coli metabolite;
human metabolite;
mouse metabolite
uridine diphosphateUridine 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
carbostyrilquinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.

Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.
monohydroxyquinoline;
quinolone
bacterial xenobiotic metabolite
levodopaL-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
mepazinemepazine: 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
adenosine monophosphateAdenosine 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
methylene bluemethylene 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 saltacid-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
cytidine diphosphateCytidine 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
methioninemethionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.

Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.
aspartate family amino acid;
L-alpha-amino acid;
methionine;
methionine zwitterion;
proteinogenic amino acid
antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
phenylalanineL-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
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
dimethyl sulfonesulfone
gliotoxingliotoxin : 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
benziodaronebenziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)aromatic ketone
17-alpha-hydroxyprogesterone17alpha-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
tubercidintubercidin : An N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus.

Tubercidin: An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside
antimetabolite;
antineoplastic agent;
bacterial metabolite
ampicillinampicillin : 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
dithionitrobenzoic aciddithionitrobenzoic 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
asparagineasparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.

Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed)
amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
4-hydroxypropiophenoneacetophenones
mestranol17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound
prodrug;
xenoestrogen
tryptophantryptophan : 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
n,n'-diphenyl-4-phenylenediamineN,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
argininearginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.

Arginine: An essential amino acid that is physiologically active in the L-form.
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
trichloroacetic acidtrichloroacetic 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
isopreneisoprene : 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
bisphenol a4,4'-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.
bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
purpurinpurpurin : 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
trihydroxyanthraquinonebiological pigment;
histological dye;
plant metabolite
1,4-dihydroxyanthraquinone1,4-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
dihydroxyanthraquinonedye
cyclizinecyclizine : 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-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
quinophthalonequinoline 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
lawsonelawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis.

lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye
rotenoneDerris: 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
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneflavin
9,10-phenanthrenequinone9,10-phenanthrenequinone: structurephenanthrenes
8-hydroxyquinoline-5-sulfonic acid8-hydroxyquinoline-5-sulfonic acid: RN given refers to parent cpd
acriflavine chloride3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine.organic chloride saltantibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator
1-nitronaphthalene1-nitronaphthalene : A mononitronaphthalene substituted by a nitro group at position 1.

1-nitronaphthalene: RN given refers to cpd with locant for nitro moiety in 1 position

mononitronaphthalene : A nitronaphthalene carrying a single nitro group at unspecified position.

nitronaphthalene : A nitroarene that is naphthalene substituted by at least one nitro group.
mononitronaphthaleneenvironmental contaminant;
mouse metabolite
dimoxylinequinolines
salicylanilidesalicylanilide : 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
thiophene-3-carboxylic acidthiophene-3-carboxylic acid: structure in first source
2-anisidine2-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-naphthol1-naphthol : A naphthol carrying a hydroxy group at position 1.

1-naphthol: RN given refers to parent cpd

hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.
naphtholgenotoxin;
human xenobiotic metabolite
1-naphthylphenylamineN-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structurenaphthalenes
phenyltoloxaminephenyltoloxamine: RN given refers to parent cpd; structurediarylmethane
phenidonephenidone: photographic developer; RN given refers to parent cpd; structure
3-hydroxy-2-naphthoic acid3-hydroxy-2-naphthoic acid: RN given refers to parent cpdnaphthoic acid
phenothiazine10H-phenothiazine : The 10H-tautomer of phenothiazine.phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
benzidinebenzidine : 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
acetyleugenolacetyleugenol: from cloves; inhibits arachidonate-, adrenaline-, & collagen-induced platelet aggregationbenzoate ester;
phenols
benzanilide
butylparabenorganic molecular entity
bis(1-piperidylthiocarbonyl)disulfidebis(1-piperidylthiocarbonyl)disulfide: indicator for analysis of copper; structure
monosulfirammonosulfiram: monosulfide derivative of disulfide DISULFIRAM; structureorganosulfur compound
benzotriazolebenzotriazole : 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
benzotriazolesenvironmental contaminant;
xenobiotic
benzothiazolebenzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.

benzothiazole: structure
benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
1,3-ditolylguanidine1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the braintoluenes
4-tert-butylbenzoic acid4-tert-butylbenzoic acid: RN given refers to parent cpdalkylbenzene
3-aminobenzoic acid3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3.

3-aminobenzoic acid: RN given refers to parent cpd
aminobenzoic acid
methyl gallatemethyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties.

methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum
gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
carveolcarveol : 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 monoterpenoidplant metabolite;
volatile oil component
4-hydroxyacetophenone4-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'.
monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
terephthalic acidterephthalic 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 acid2,5-Pyridinedicarboxylic acid: RN given refers to parent cpd

isocinchomeronic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 5.
pyridinedicarboxylic acid
ethylbenzenealkylbenzene
benzylamineaminotoluene : 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
phenylhydrazinephenylhydrazinesxenobiotic
phenylhydroxylamineN-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
4-aminodiphenylamine4-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
diphenylguanidine1,3-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
guanidinesallergen
1,3-diphenylurea1,3-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).phenylureascytokinin;
plant metabolite
monobenzonemonobenzone : The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation.

monobenzone: structure
benzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor
betazolebetazole : Pyrazole in which a hydrogen adjacent to one of the nitrogen atoms is substituted by a 2-aminoethyl group. It is a histamine H2-receptor agonist used clinically to test gastric secretory function.

Betazole: A histamine H2 agonist used clinically to test gastric secretory function.
primary amino compound;
pyrazoles
diagnostic agent;
gastrointestinal drug;
histamine agonist
2,4-dimethylphenol2,4-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
4-chloroaniline4-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
diethylaminesecondary aliphatic amine
tetraethylenepentaminepolyazaalkanecopper chelator
ergotamineergotamine : 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 alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
dichlonedichlone: structure
chloranilChloranil: 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
framycetinframycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.

Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed)
aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
1-hydroxyphthalazine1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5phthalazines
dibenzothiazyl disulfidedibenzothiazol-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
vanillic acidvanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.

Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).
methoxybenzoic acid;
monohydroxybenzoic acid
plant metabolite
benzethonium chloridebenzethonium 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
3-nitrobenzoic acid3-nitrobenzoic acid: RN given refers to parent cpd
suramin sodiumsuramin 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 saltangiogenesis 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
pyrazolanthroneanthra[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
1,4-naphthoquinone1,4-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
pamoic acidpamoic acid: RN given refers to parent cpd; structuredicarboxylic acid
di-n-pentyl phthalatedipentyl phthalate : A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid.diester;
phthalate ester
plasticiser
1-nitroso-2-naphtholnaphthols
cinchophencinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94quinolines
1-naphthylamine1-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.
naphthylaminehuman xenobiotic metabolite
amprolium hydrochloride
4-nitrosodimethylaniline4-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
estragoleestragole : 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
sterogenolcetylpyridinium 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
citronellolcitronellol : 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.
monoterpenoidplant metabolite
yohimbineyohimbine : 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-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
2-chloroadenosine5-chloroformycin A: structure given in first sourcepurine nucleoside
citronellyl acetatecitronellol 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
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
catechinantioxidant;
plant metabolite
benzo(k)fluoranthenenaphthalenes
indazolesIndazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.indazole
7-azaindolepyrrolopyridine
indopanalpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position.

indopan: RN given refers to parent cpd without isomeric designation
tryptamines
hydralazine hydrochloridehydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent.hydrochlorideantihypertensive agent;
vasodilator agent
evans blueEvans 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 saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
azacitidine5-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
triflusaltriflusal: inhibits platelet aggregation similarly to aspirin; structurebenzoic acids;
carboxylic ester;
salicylates
4-fluoroaniline4-fluoroaniline : A primary arylamine that is the derivative of aniline in which the hydrogen at position 4 has been substituted by fluorine. It is used as an intermediate in the manufacture of pharmaceuticals, herbicides and plant growth regulators.

4-fluoroaniline: chemical intermediate manufactured by the Halex process; RN given refers to parent cpd; structure given in first source
fluoroaniline;
primary arylamine
citrullinecitrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.amino acid zwitterion;
citrulline
Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
lithocholic acidlithocholate : 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
hydantoinsHydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.

imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4.
imidazolidine-2,4-dione
normethadonenormethadone: RN given refers to parent cpddiarylmethane
glycyrrhetinic acidcyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
immunomodulator;
plant metabolite
boldineaporphine alkaloid
rheindihydroxyanthraquinone
indirubin
lucanthonelucanthone : A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone.

Lucanthone: One of the SCHISTOSOMICIDES, it has been replaced largely by HYCANTHONE and more recently PRAZIQUANTEL. (From Martindale The Extrapharmacopoeia, 30th ed., p46)
thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
plumbaginplumbagin : 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
chrysophanic acidchrysophanic 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.
dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
kokusagininekokusaginine: antimalarial alkaloid from Teclea afzelii; structure in first sourceorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
ostholosthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first sourcebotanical anti-fungal agent;
coumarins
metabolite
Dillapiole5-allyl 6,7-dimethoxy 1,3-benzodioxole: a plant based insecticide; structure in first sourcebenzodioxolesmetabolite
oxycinchophenquinolines
9-fluorenonefluoren-9-one : The simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9.fluoren-9-onesfungal xenobiotic metabolite
indole-3-carbaldehydeindole-3-carbaldehyde : A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group.

indole-3-carbaldehyde: metabolite of tryptophan; structure
heteroarenecarbaldehyde;
indole alkaloid;
indoles
bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite
indicanindoxyl sulfate : An aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group.aryl sulfate;
indoles
human metabolite
3,4-pyridinedicarboxylic acid3,4-pyridinedicarboxylic acid: structure in first sourcepyridinedicarboxylic acid
isocarbostyrilisoquinolinone : An isoquinoline containing one or more oxo groups.isoquinolines
1,4-benzodioxan1,4-benzodioxan: structure in first source
benzohydroxamic acid
carvacrolcarvacrol : 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
2,4-pyridinedicarboxylic acidlutidinic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4.pyridinedicarboxylic acid
3,5-pyridinedicarboxylic acid3,5-pyridinedicarboxylic acid: structure in first sourcepyridinedicarboxylic acid
dipicolinic aciddipicolinic acid : A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6.pyridinedicarboxylic acidbacterial metabolite
olivetololivetol : 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
resorcinolslichen metabolite
4-hydroxybutyric acid4-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
alpha-aminopyridinealpha-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.
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite
hematoxylinHematoxylin: 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
podophyllotoxinPodophyllum: 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
isoquinoline-1,3,4-trioneisoquinoline-1,3,4-trione: structure in first source
dequalinium chloridedequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium.organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
dimenhydrinategravinol: has antioxidant and ant-inflammatory activities; structure in first sourcediarylmethane
1,2-naphthoquinone1,2-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-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
flavoneflavone : 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
flavonesmetabolite;
nematicide
2-methylfuran2-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
amanozinediamino-1,3,5-triazine
methamphetaminemethamphetamine : 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
aceturic acidaceturic acid: structure

N-acetylglycine : An N-acylglycine where the acyl group is specified as acetyl.
N-acetyl-amino acid;
N-acylglycine
human metabolite
myristic acidMyristic 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
gentian violetcrystal 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 saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
amitriptyline hydrochlorideorganic tricyclic compound
eriodictyolflavanones
neutral red baseneutral red base : A member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0.aromatic amine;
phenazines;
primary amino compound;
tertiary amino compound
acid-base indicator;
dye;
two-colour indicator
benzylhydrazinebenzylhydrazine: RN given refers to parent cpd
1,4-naphthohydroquinonenaphthohydroquinone : A hydroxynaphthalene that is naphthalene-1,4-diol and its C-substituted derivatives.naphthalenediol;
naphthohydroquinone
congo redCongo 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
3-hydroxyflavone3-hydroxyflavone: structure given in first source

flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.
flavonols;
monohydroxyflavone
8-aminoquinoline
6-aminoquinoline
1,2-Dihydroquinolin-2-imineaminoquinoline
succinimidesuccinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5.

succinimide: RN given refers to parent cpd
dicarboximide;
pyrrolidinone
nitrosobenzenebenzenes;
nitroso compound
xenobiotic metabolite
levulinic acid4-oxopentanoic acid : An oxopentanoic acid with the oxo group in the 4-position.

levulinic acid: inhibits 5-aminolevulinic acid dehydratase; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5316
oxopentanoic acid;
straight-chain saturated fatty acid
plant metabolite
4-cumylphenoldiarylmethane
1-methylindole1-methylindole: SKATOLE refers to 3-methylindole; RN given refers to parent cpd; structure

methylindole : Any member of the class of indoles carrying one or more methyl substituents.
alpha-naphthoflavonealpha-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
ferrocin cN-methyl-2-quinolone: structure in first source
toyocamycintoyocamycin : An N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a cyano group.

Toyocamycin: 4-Amino-5-cyano-7-(D-ribofuranosyl)-7H- pyrrolo(2,3-d)pyrimidine. Antibiotic antimetabolite isolated from Streptomyces toyocaensis cultures. It is an analog of adenosine, blocks RNA synthesis and ribosome function, and is used mainly as a tool in biochemistry.
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside
antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
5-nitroquinoline
2,3,4-Trihydroxybenzoic acidhydroxybenzoic acid
2-nitrosotoluene
8-methylquinolinemethylquinoline
2-hydrazinobenzothiazole
1-methyluracil1-methyluracil : A pyrimidone that is uracil with a methyl group substituent at position 1.

1-methyluracil: RN given refers to parent cpd; structure
nucleobase analogue;
pyrimidone
metabolite
2,3-dichloro-1-propanol
acetylcysteineN-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-dichloroanilinedichloroaniline
Berberine chloride (TN)organic molecular entity
benzydaminebenzydamine : A member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties.

Benzydamine: A benzyl-indazole having analgesic, antipyretic, and anti-inflammatory effects. It is used to reduce post-surgical and post-traumatic pain and edema and to promote healing. It is also used topically in treatment of RHEUMATIC DISEASES and INFLAMMATION of the mouth and throat.
aromatic ether;
indazoles;
tertiary amino compound
analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
erythromycinerythromycin : 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
dehydroepiandrosterone sulfatedehydroepiandrosterone sulfate : A steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone.

Dehydroepiandrosterone Sulfate: The circulating form of a major C19 steroid produced primarily by the ADRENAL CORTEX. DHEA sulfate serves as a precursor for TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE.
17-oxo steroid;
steroid sulfate
EC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite;
mouse metabolite
agaric acidagaric acid: adenine nucleotide translocase antagonist
2-amino-4,6-dimethyl pyrimidine2-amino-4,6-dimethyl pyrimidine: structure in first sourceaminopyrimidine
8-hydroxy-2-methylquinoline8-hydroxy-2-methylquinoline: structure in first sourcehydroxyquinoline
4-phenoxyphenolphenoxyphenol
vinblastine
malononitrile dimerMalononitrile dimer: has antithyroid activity; inhibits conversion of monoiodotyrosine to diiodotyrosine
n-methylpyrrolidone1-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
diphenyl disulfidebenzenes
3-methoxycatechol3-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
5-aminobenzimidazole5-aminobenzimidazole: RN given refers to parent cpd; structure given in first source; inhibits gastric secretions in rats
2-aminobenzimidazole2-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
benzimidazolesmarine xenobiotic metabolite
4-phenylpyridinephenylpyridine
ethylestrenolethylestrenol : 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
methylphosphonic acidmethylphosphonic acid : A one-carbon compound that is phosphonic acid in which the hydrogen attached to the phosphorus is substituted by a methyl group.one-carbon compound;
phosphonic acids
pentadecanoic acidpentadecanoic acid : A straight-chain saturated fatty acid containing fifteen-carbon atoms.

pentadecanoic acid: in serum as a marker for intake of milk fat
long-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
food component;
human blood serum metabolite;
plant metabolite
3-phenylpyridine
pyrovaleronepyrovalerone: RN given refers to parent cpd; synonyms F 1983 & Centroton refer to HCl; structurearomatic ketone
3,3',4',5-tetrachlorosalicylanilide3,3',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
2-amino-4-phenylphenolbiphenyls
ethidium bromideorganic bromide saltgeroprotector;
intercalator;
trypanocidal drug
tribromsalantribromosalicylanilide : 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
vancomycinvancomycin : 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.
glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
nsc 65346sangivamycin : A nucleoside analogue that is adenosine in which the nitrogen at position 7 is replaced by a carbamoyl-substituted carbon. It is a potent inhibitor of protein kinase C.

sangivamycin: RN given refers to parent cpd
nucleoside analogueprotein kinase inhibitor
lysergollysergol : An alkaloid of the ergoline family that occurs as a minor constituent in some species of fungi and in the morning glory family of plants. Its structure is that of ergoline with a methyl group at N-6 and a beta-hydroxymethyl substituent at C-8.

lysergol: structure given in first source; RN given refers to (8beta)-isomer
ergoline alkaloid
desacetamidocolchicinedesacetamidocolchicine: structure given in first source
daminozidedaminozide: induces tumorsstraight-chain fatty acid
2-amino-3-methylpyridine2-amino-3-methylpyridine: structure in first source
azaperoneazaperone : 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
2-aminothiazoline2-aminothiazoline: RN given refers to parent cpd; structure in first source & in Negwer, 5th ed, #97

4,5-dihydro-1,3-thiazol-2-amine : A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole substituted by an amino group at position 2.
1,3-thiazoles;
primary amino compound
4-octylphenol4-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
phenolsmetabolite;
surfactant;
xenoestrogen
2-ethylbenzimidazole
tetrachloroisophthalonitrilechlorothalonil : 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
5-hydroxyindolehydroxyindoleshuman metabolite
11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine11-(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)diazepine2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine: structure given in first source
phenylguanidinephenylguanidine: RN given refers to parent cpd
amilorideamiloride : 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-phenylpropylamine3-phenylpropylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group.benzenes;
phenylalkylamine;
primary amino compound
pimozidepimozide : 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
benperidolBenperidol: 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
2,4-diacetylphloroglucinol2,4-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
fluometuronfluometuron : 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
guanoxanguanoxan: 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 damagebenzodioxine
n-methyllaurotetanineN-methyllaurotetanine: structure in first source
phenethyl isothiocyanatephenethyl 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
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
5-fluorocytidine5-fluorocytidine: isolated from DNA of Escherichia coli grown in presence of 5-fluorouracil; structure; RN given refers to parent cpdcytidines;
organofluorine compound
2-methoxy-1,4-naphthoquinone2-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
fucosefucose : Any deoxygalactose that is deoxygenated at the 6-position.

Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.

L-fucopyranose : The pyranose form of L-fucose.
fucopyranose;
L-fucose
Escherichia coli metabolite;
mouse metabolite
4-(octyloxy)benzoic acidbenzoic acids
pontamine sky blue
diphenylborinic aciddiphenylborinic acid: structure given in first source
1,2-benzisothiazoline-3-one1,2-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
4-nitrohippuric acid4-nitrohippuric acid: major metabolite of 4-nitrobenzoic acid
bis(4-oxyphenyl)sulfide4,4'-thiodiphenol: structure in first sourcephenols
thiocholchicinethiocholchicine: RN refers to (S)-isomer
4-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoic acidbenzoic acids
uridine diphosphate galactoseUDP-alpha-D-galactose : A UDP-D-galactose in which the anomeric centre of the galactose moiety has alpha-configuration.

Uridine Diphosphate Galactose: A nucleoside diphosphate sugar which can be epimerized into UDPglucose for entry into the mainstream of carbohydrate metabolism. Serves as a source of galactose in the synthesis of lipopolysaccharides, cerebrosides, and lactose.
UDP-D-galactosemouse metabolite
2-(2'-hydroxyphenyl)benzimidazole2-(2'-hydroxyphenyl)benzimidazole: structure in first source
mannosemannopyranose : The pyranose form of mannose.D-aldohexose;
D-mannose;
mannopyranose
metabolite
trimethylcolchicinic acid methyl ethertrimethylcolchicinic acid methyl ether: RN given refers to (S)-isomer; synonyms NSC-36354 & TMCA refers to tartrate [1:1]acetamides;
alkaloid;
carbotricyclic compound
cyclic cmp3',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 nucleotidehuman metabolite
piperacetazinepiperacetazine: was MH 1975-91 (see under PHENOTHIAZINE TRANQUILIZERS 1975-90)phenothiazines
fuberidazolefuberidazole : A ring assembly consisting of benzimidazole substituted at position 2 by a 2-furyl group. A fungicide used as a seed treatment to control Fusarium spp. in cereals.

fuberidazole: fumigant; structure
benzimidazole fungicide;
benzimidazoles;
furans
antifungal agrochemical
nitroxolinenitroxoline : 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
9-benzyladenine
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
hyaluronoglucosaminidasekinetin riboside: preferentially induces apoptosis by modulating Bcl-2 family proteins and caspase-3 in cancer cells; structure in first sourcepurine nucleoside
canadine, (s)-isomer(S)-canadine : The (S)-enantiomer of canadine.an (S)-7,8,13,14-tetrahydroprotoberberine;
canadine
plant metabolite
4-aminobenzhydrazide4-aminobenzhydrazide: a Russian synthetic drug of acylhydrazide group; decreased uterus wt in rats; RN given refers to cpd with specified locants for amino group
5-nitroindazole
cetylpyridinium chloridehydrate
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineflavin
d-glutamateD-alpha-amino acid;
glutamic acid
Escherichia coli metabolite;
mouse metabolite
terodilinediarylmethane
isoetharine mesylate
camptothecinNSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first sourcedelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
isopentenyladenosineIsopentenyladenosine: 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
hydroxyzine pamoatepiperazinium salt
carbendazimcarbendazim : 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
coformycincoformycinsEC 3.5.4.4 (adenosine deaminase) inhibitor
diacereindiacerein: 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
parbendazoleparbendazole: anthelmintic used against a variety of gastrointestinal parasites; minor descriptor (75-86); on-line & INDEX MEDICUS search BENZIMIDAZOLES; RN given refers to parent cpdbenzimidazoles;
carbamate ester
benserazide hydrochloridebenserazide hydrochloride : A hydrochloride that is the monohydrochloride salt of benserazide. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide hydrochloride has no antiparkinson actions when given alone.hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
clemastineclemastine : 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
cromolyn sodiumCromolyn Sodium: A chromone complex that acts by inhibiting the release of chemical mediators from sensitized MAST CELLS. It is used in the prophylactic treatment of both allergic and exercise-induced asthma, but does not affect an established asthmatic attack.

disodium cromoglycate : An organic sodium salt that is the disodium salt of cromoglycic acid.
organic sodium saltanti-asthmatic drug;
drug allergen
indomethacin ethyl esterindomethacin ethyl ester: structure in first source
tetradecanoylphorbol acetatephorbol 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
danazolDanazol: 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
ochracinochracin: produced by Aspergillus alutaceus; structure in first sourceisochromanes
metergolinemetergoline : 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
lisurideLisuride: 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 amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
cannabichromene1-benzopyran
daunorubicinanthracycline : 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
carbimazolecarbimazole : 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
4-anisaldehyde4-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.
benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
thymolphthaleinThymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.terpene lactone
ursodeoxycholic acidursodeoxycholate : 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
1,4-diaminoanthraquinone
rafoxanideRafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations.
proquazoneproquazone: nonsteroid anti-inflammatory agent; structurepyrimidines
8-bromo cyclic adenosine monophosphate8-Br-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP bearing an additional bromo substituent at position 8 on the adenine ring. An activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.

8-Bromo Cyclic Adenosine Monophosphate: A long-acting derivative of cyclic AMP. It is an activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound
antidepressant;
protein kinase agonist
6-methoxy-2-naphthylacetic acid(6-methoxy-2-naphthyl)acetic acid : A monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone.

6-methoxy-2-naphthylacetic acid: major metabolite of nabumetone; inhibits cyclooxygenase-2 (COX-2)
methoxynaphthalene;
monocarboxylic acid
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazineN-alkylpiperazine;
organic heterotricyclic compound
1-(2-(2,4-dichlorophenyl)-2-hydroxyethyl)-1h-imidazole1-(2-(2,4-dichlorophenyl)-2-hydroxyethyl)-1H-imidazole: RN given refers to parent cpd; structure given in first source; principal transformation product of imazalil
l-amphetamine(R)-amphetamine : A 1-phenylpropan-2-amine that has R configuration.1-phenylpropan-2-amine
glutamic acidglutamic 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
dexchlorpheniraminedexchlorpheniramine: RN given refers to parent cpd(S)-isomerchlorphenamine
penfluridolPenfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS.diarylmethane
zidovudinezidovudine : 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
acetylgalactosamineAcetylgalactosamine: The N-acetyl derivative of galactosamine.N-acetyl-D-hexosamine;
N-acetylgalactosamine
Escherichia coli metabolite;
human metabolite;
mouse metabolite
4-hydroxyphenylglycine, (s)-isomerL-4-hydroxyphenylglycine : The L-enantiomer of 4-hydroxyphenylglycine.4-hydroxyphenylglycine
paclitaxelTaxus: 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
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
flazolone
dobutaminedobutamine : 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
cartazolatecartazolate: structure
enilconazole1-[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
halofantrinehalofantrine: used in treatment of mild to moderate acute malariaphenanthrenes
butaclamolamino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound
dopaminergic antagonist
ribavirinRebetron: Rebetron is tradename1-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
phorbol 12,13-dibutyratePhorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
carbidopacatechols;
hydrate;
hydrazines;
monocarboxylic acid
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
guanadrelguanadrel : A spiroketal resulting from the formal condensation of the keto group of cyclohexanone with the hydroxy groups of 1-(2,3-dihydroxypropyl)guanidine. A postganglionic adrenergic blocking agent formerly used (generally as the sulfate salt) for the management of hypertension, it has been largely superseded by other drugs less likely to cause orthostatic hypotension (dizzy spells on standing up or stretching).

guanadrel: RN given refers to parent cpd; structure
guanidines;
spiroketal
adrenergic antagonist;
antihypertensive agent
methyldopaalpha-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
tricyclazoletricyclazole : A triazolobenzothiazole that is [1,2,4]triazolo[3,4-b][1,3]benzothiazole which is substituted at position 5 by a methyl group. A fungicide used for the control of rice blast, it is not approved for use within the European Union.

tricyclazole: RN given refers to parent cpd
triazolobenzothiazoleantifungal agrochemical;
melanin synthesis inhibitor
diltiazemdiltiazem : 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 acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
ng-nitroarginine methyl esterNG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor
dexibuprofendexibuprofen: structure in first sourceibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
phenthiazaminephenthiazamine: RN given refers to parent cpd
quisqualic acidQuisqualic 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
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidchromanol;
monocarboxylic acid;
phenols
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
pinaveriumpinaverium: RN given refers to parent cpd; structuremonoterpenoid
3,3',5,5'-tetramethylbenzidineT1023: radioprotective NO-Synthase Inhibitor
nitazoxanidenitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrugbenzamides;
carboxylic ester
epirubicinEpirubicin: 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
eg 626phthalazinol: RN given refers to parent cpd; do not confuse with phthalazinol: 62054-23-3; thromboxane A2 antagonistphthalazines
closantelclosantel : 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
elliptiniumelliptinium: synthetic ellipticine deriv; RN given refers to parent cpd; structure given in first sourcecarbazoles
eniluracileniluracil: structure in first source; inactivates dihydropyrimidine dehydrogenasepyrimidone
piperacillinpiperacillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group.

Piperacillin: Semisynthetic, broad-spectrum, AMPICILLIN derived ureidopenicillin antibiotic proposed for PSEUDOMONAS infections. It is also used in combination with other antibiotics.
penicillin;
penicillin allergen
antibacterial drug
paroxetineparoxetine : 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
captoprilcaptopril : 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
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
lidamidinelidamidine: synonym WHR-1142A refers to HCl; structureureas
bw-755c4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine: A dual inhibitor of both cyclooxygenase and lipoxygenase pathways. It exerts an anti-inflammatory effect by inhibiting the formation of prostaglandins and leukotrienes. The drug also enhances pulmonary hypoxic vasoconstriction and has a protective effect after myocardial ischemia.
colforsinColforsin: 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
bicifadinebicifadine: a nonopioid analgesic that modulates the monoaminergic pathways involved in pain
mitoxantrone hydrochloridehydrochlorideantineoplastic agent
swainsonineswainsonine : An indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8.

Swainsonine: An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity.
indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanonearomatic ketone
haloperidol decanoateorganic molecular entity
lovastatinlovastatin : 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
chaetochrominchaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A
enoximoneEnoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.aromatic ketone
castanosperminecastanospermine : 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 alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
simvastatinsimvastatin : 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
remoxiprideRemoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia.dimethoxybenzene
quinpirolequinpirole : 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.
pyrazoloquinolinedopamine agonist
balsalazidebalsalazide : A monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond.

balsalazide: a mesalamine 5-aminosalicylate prodrug; 99% of ingested drug remains intact through the stomach and is delivered to and activated in the colon; used for inflammatory bowel disease, ulcerative colitis and radiation-induced proctosigmoiditis but avoided in patients with known hypersensitivity reaction to salicylates or mesalamine; structure in first source
pravastatinpravastatin : 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
atomoxetine hydrochlorideatomoxetine 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.
hydrochlorideadrenergic uptake inhibitor;
antidepressant
atomoxetineatomoxetine : 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
raloxifene hydrochlorideraloxifene 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.
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
mifepristoneMifepristone: 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
piroximonepiroximone: structure in first source
pirmagrelpirmagrel: structure given in first source
preclamolpiperidines
2-(2-methoxy-4-(methylsulfinyl)phenyl)-1h-imidazo(4,5-c)pyridine2-(2-methoxy-4-(methylsulfinyl)phenyl)-1H-imidazo(4,5-c)pyridine: RN & structure given in first source; RN given refers to parent cpd; closely related to sulmazoleimidazoles
2-demethylthiocolchicine2-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85
2'-carbomethoxyphenyl 4-guanidinobenzoate2'-carbomethoxyphenyl 4-guanidinobenzoate: potent inhibitor of the sperm enzyme acrosin
imazodanimazodan: RN & structure given in first source;
(S)-nomifensine(S)-nomifensine : The S enantiomer of nomifensine.nomifensine
lonapaleneRS 43179: used in treatment of psoriasisnaphthalenes;
organochlorine compound
salmeterol xinafoateSalmeterol 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
ipsapironeN-arylpiperazine
ablukast
eticloprideeticlopride: blocks dopamine-D2 binding sites; structure given in first source; RN given refers to (S)-isomersalicylamides
imiquimodimiquimod : 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.
imidazoquinolineantineoplastic agent;
interferon inducer
2-(2-pyridyl)ethylidine-1,1-bisphosphonate2-(2-pyridyl)ethylidine-1,1-bisphosphonate: inhibits hypercalciuria
n 0437, (-)-isomerrotigotine: Antiparkinson Agent and dopamine receptor agonist; structure given in first source; RN given refers to cpd without isomeric designationtetralins
tepoxalintepoxalin : A hydroxamic acid obtained by formal condensation of the carboxy group of 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid with the amino group of N-methylhydroxylamine. It is used in veterinary medicine for the control of pain and inflammation caused by musculoskeletal disorders such as hip dysplasia and arthritis in dogs.aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles
antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
sertindolesertindole : 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
adapaleneadapalene : 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
sparfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
zileuton1-benzothiophenes;
ureas
anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
tebufelonetebufelone: structure given in first source
niguldipinediarylmethane
cidofovir anhydrouscidofovir 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
tiagabinetiagabine : 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
mibefradilMibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.tetralinsT-type calcium channel blocker
topotecan hydrochloride
topotecantopotecan : 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.
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
tenidaptenidap: structure given in first source; RN refers to (Z)-isomer
bromfenacbromfenac : Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure.

bromfenac: bromfenac sodium is the active cpd; structure in first source
aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ibutilideibutilide: RN & structure in first source; RN refers to the fumarate saltbenzenes;
organic amino compound
fananserinfananserin: RN & structure given in first sourcenaphthalenes;
sulfonic acid derivative
aripiprazolearipiprazole : 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
atorvastatinaromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)
environmental contaminant;
xenobiotic
lamivudinemonothioacetal;
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
duloxetineduloxetine
aptiganelaptiganel: NMDA receptor antagonist used to study the effects of stroke; structure given in first source; RN given refers to hydrochloridenaphthalenes
ibandronic acidIbandronic 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.
ziprasidoneziprasidone : 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
tirofibantirofiban : 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
xemilofibanxemilofiban: SC-54684A was administered as the hydrochloride salt; inhibits platelet glycoprotein GPIIB IIIA receptor; structure given in first source
adenosinequinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlitadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
phenylhydrazine hydrochloridephenylhydrazine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of phenylhydrazine and hydrogen chloride.hydrochloride
acridine orangeacridine 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
fluoxetine hydrochloridefluoxetine 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
chlorfenethazinechlorfenethazine: RN given refers to parent cpd; synonym elroquil refers to HCl; structurephenothiazines
paroxetine hydrochlorideparoxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug.hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
bupropion hydrochloridearomatic ketone
venlafaxine hydrochlorideVenlafaxine Hydrochloride: A cyclohexanol and phenylethylamine derivative that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR (SNRI) and is used as an ANTIDEPRESSIVE AGENT.hydrochloride
trovafloxacintrovafloxacin : A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.

trovafloxacin: a trifluoronaphthyridone derivative of 7-(3-azabicyclo(3.1.0)hexyl)naphthyridone; has antineoplastic activity
verapamil hydrochlorideverapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.
sertraline hydrochloridesertraline 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.hydrochlorideantidepressant;
serotonin uptake inhibitor
efavirenzefavirenz : 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
nelfinavirnelfinavir : 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
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-glucopyranoseepitope;
mouse metabolite
mevastatinmevastatin : 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
fenofibric acidfenofibric 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 acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
norharmanbeta-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
thymidine 5'-triphosphatedTTP : A thymidine phosphate having a triphosphate group at the 5'-position.

thymidine 5'-triphosphate: RN given refers to parent cpd
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate;
thymidine phosphate
Escherichia coli metabolite;
mouse metabolite
betulinic acidhydroxy 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
calanolide a(+)-calanolide A : An organic heterotetracyclic compound that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one substituted by a hydroxy group at position 12, methyl groups at positions 6, 6, 10 and 11 and a propyl group at position 4 (the 10R,11S,12S stereoisomer). Isolated from Calophyllum lanigerum var austrocoriaceum and Calophyllum brasiliense, it exhibits potent activity against HIV-1 reverse transcriptase.

calanolide A: NSC 661122 and costatolide are isomers; a novel HIV-inhibitory class of coumarin derivatives from the tropical rainforest tree, Calophyllum lanigerum (Clusiaceae); structure in first source
cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol
HIV-1 reverse transcriptase inhibitor;
plant metabolite
platanic acidplatanic acid : A pentacyclic triterpenoid that is 30-norlupan-28-oic acid substituted by a 3beta-hydroxy and an oxo group at position 20. It is isolated from the leaves of Syzygium claviflorum and exhibits anti-HIV activity.

platanic acid: inhibits HIV replication; isolated from Syzigium claviflorum; structure in first source
hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid
anti-HIV agent;
metabolite
baicalindihydroxyflavone;
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
allicinbotanical anti-fungal agent;
sulfoxide
antibacterial agent
medicagenic acidmedicagenic acid: aglycone constituent of lucerne saponins, upon which their fungastatic & hemolytic activity dependstriterpenoid
2',3'-dideoxythymidine triphosphateddTTP : A pyrimidine 2',3'-dideoxyribonucleoside 5'-triphosphate having thymine as the nucleobase.pyrimidine 2',3'-dideoxyribonucleoside 5'-triphosphate;
thymidine phosphate
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
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
gallocatechinantioxidant;
metabolite;
radical scavenger
2,4-diaminoquinazoline
25-hydroxycholesterol25-hydroxy steroid;
oxysterol
human metabolite
aica ribonucleotideAICA 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
salvinsalvin: 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
1-beta-d-arabinofuranosylcytosine 5'-monophosphate1-beta-D-arabinofuranosylcytosine 5'-monophosphate: RN given refers to dihydrogen phosphate
xanthyletinexanthyletine: structurecoumarins
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose1,2,3,4,6-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)-methylguanine6-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
methylguaninemutagen
2',3'-dideoxyadenosine triphosphatepurine deoxyribonucleoside triphosphate
desipramine hydrochloridedesipramine hydrochloride : The hydrochloride salt of desipramine.hydrochloridedrug allergen
dopamine hydrochlorideP 498: structure in first source; do not confuse with dopamine chloride, also known as P 498catecholamine
baccatin iiiacetate ester;
benzoate ester;
tetracyclic diterpenoid
plant metabolite
sulconazole, mononitrate, (+-)-isomerconazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
4-aminomethylbenzoic acidbenzoic acids
tetraiodothyroacetic acid3,3',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
bendamustinebenzimidazoles
litoxetinelitoxetine: a serotonin uptake inhibitor
rutecarpinerutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsulesbeta-carbolines
milnacipranMilnacipran: A cyclopropanecarboxamide serotonin and norepinephrine reuptake inhibitor (SNRI) that is used in the treatment of FIBROMYALGIA.acetamides
esreboxetineesreboxetine: a norepinephrine reuptake inhibitoraromatic ether
sertaconazole1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that carries a 2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl group at position 1.

sertaconazole : A racemate comprising equimolar amounts of (R)- and (S)-sertaconazole. A broad spectrum antifungal with added antipruritic and anti-inflammatory activity used (as its nitrate salt) for treatment of various skin infections.
1-benzothiophenes;
dichlorobenzene;
ether;
imidazoles
tolafentrinetolafentrine: a mixed-type phosphodiesterase (PDE) III/IV inhibitor
telmisartantelmisartan : 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
inogatraninogatran: a direct low molecular weight thrombin inhibitor
4-methylbenzylamine
trifluoperazine hydrochloridehydrochloride
bergeninbergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structuretrihydroxybenzoic acidmetabolite
17-methylestradiol17-methylestradiol: RN given refers to parent cpd(17beta)-isomer3-hydroxy steroid
2-methoxyestradiol2-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
2-methylestradiol2-methylestradiol: RN given refers to (17beta)-isomer
toxoflavintoxoflavin : 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
7-chloro-4-hydroxyquinoline7-chloro-4-hydroxyquinoline: structure given in first source
salicylhydroxamic acidhydroxamic acid;
phenols
antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
xanthoxylinexanthoxyline: isolated from Sebastiania schottiana (Euphorbiaceae); structure given in first source; also present in Xanthoxylum, Rutaceae, Artemisia and other plantscarboxylic ester
isocytosine2-amino-4-hydroxypyrimidine : An aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively.aminopyrimidine;
pyrimidine nucleobase;
pyrimidone
5,5'-methylenedisalicylic acid5,5'-methylenedisalicylic acid: inhibits attachment of ribosomes to microsomal membranes; RN given refers to parent cpd; structure in first source & Merck Index, 9th ed, #5934
4-fluorobenzylamine
fluphenazine hydrochloridephenothiazinesanticoronaviral agent
4-chlorophenethylamine4-chlorophenethylamine: RN given refers to parent cpd
1h-imidazo(4,5-b)pyridine1H-imidazo(4,5-b)pyridine: structure given in first source

4-azabenzimidazole : The [4,5-b]-fused isomer of imidazopyridine.
imidazopyridine
harmolharmol: harmol is oxidized form of alkaloid harmolol; RN given refers to parent cpd; structureharmala alkaloid
dimidium bromide
2,3-trimethylene-4-quinazolone2,3-trimethylene-4-quinazolone: structure in first sourcequinazolines
2,6-dimethoxy-1,4-benzoquinone2,6-dimethoxy-1,4-benzoquinone: structure given in first source
nebularinenebularine : 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
mianserin hydrochloridemianserin hydrochloride : The hydrochloride salt of mianserin, a tetracyclic compound with antidepressant effects.hydrochloridegeroprotector
miconazole nitratemiconazole 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.
2-iodoestradiol2-iodoestradiol: RN given refers to unlabeled cpd
econazole nitrateeconazole 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.
sertralinesertraline : 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
mezilaminemezilamine: RN given refers to parent cpd; synonym O 6553 refers to HCl; structure
zoledronic acidzoledronic 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
nitraquazonenitraquazone: structure given in first source
plasmenylserineO-phospho-L-serine : The L-enantiomer of O-phosphoserine.

O-phosphoserine : A serine derivative that is serine substituted at the oxygen atom by a phosphono group.

plasmenylserine: RN given refers to (L)-isomer
O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1,1-cyclopropanedicarboxylatecyclopropane-1,1-dicarboxylic acid: inhibits 1-aminocyclopropane-1-carboxylic acid oxidase; structure in first source
4-methylquinolin-2(1H)-one4-methylquinolin-2(1H)-one : A quinolone that is quinolin-2(1H)-one substituted by a methyl group at position 4.quinolone
2-hydroxynicotinic acidaromatic carboxylic acid;
pyridines
4-hydroxyquinoline4-quinolone : A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4.monohydroxyquinoline;
quinolone
1-methylhydantoin1-methylhydantoin: structure in first sourceimidazolidine-2,4-dionebacterial metabolite
4(5)-phenylimidazole4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist
2-phenylimidazole
5-iodouracil5-iodouracil : An organoiodine compound consisting of uracil having an iodo substituent at the 5-position.

5-iodouracil: RN given refers to parent cpd
organoiodine compoundantimetabolite
isoscopoletinisoscopoletin : 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
2,5-diphenylfurandiphenylfuran
glutarimidedicarboximide;
piperidones
2-(2'-pyridyl)benzimidazole2-(2'-pyridyl)benzimidazole: structure in first source
2,2',2''-terpyridine2,2',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.
terpyridineschelator
D-serineD-alpha-amino acid;
serine;
serine zwitterion
Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist
6-amino-1-hydroxyhexane-1,1-diphosphonate6-amino-1-hydroxyhexane-1,1-diphosphonate: used for therapy of Paget's disease of bone & malignant hypercalcaemia1,1-bis(phosphonic acid)
flosulide
girisopam
nebivolol2,2'-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
romazarit
uk 68798aromatic ether;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
potassium channel blocker
cipamfyllinecipamfylline: a PDE type-4 inhibitoroxopurine
dexrazoxaneDexrazoxane: The (+)-enantiomorph of razoxane.razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
masoprocolmasoprocol : 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 acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
maprotiline hydrochlorideanthracenes
voriconazolevoriconazole : 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
clobuzaritbiphenyls;
organochlorine compound
prifeloneprifelone: structure given in first sourcearomatic ketone
aceclofenacamino 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
fluphenacurfluphenacur: RN given refers to parent cpdaromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound
(S)-flurbiprofenflurbiprofen
bufrolinbufrolin: inhibits the release of histamine; proposed for treatment of hay fever, asthma and skin allergies; minor descriptor (79-86); on line & INDEX MEDICUS search PHENANTHROLINES (79-86); RN given refers to parent cpd
ubenimexubenimex: growth inhibitor
avarolavarol: RN given refers to parent cpd; extract from Dysidea avara(sea sponge)
zidovudine triphosphate
1-deoxymannojirimycin
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
hesperetin3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
antineoplastic agent;
antioxidant;
plant metabolite
illimaquinoneillimaquinone: structure given in first source; isolated from the Red Sea sponge Smenospongia; inhibits the RNase H. activity of HIV-1 reverse transcriptasemonohydroxy-1,4-benzoquinones;
prenylquinone
metabolite
tetrahydropalmatinean (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound
adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
chelerythrine chloride
betulinbetulin : 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
nonoxynol-9tergitol NP-9 : A tergitol polymer consisting of nonylbenzene with a nine-membered poly(ethylene glycol) moiety attached at position 4.tergitolcontraceptive drug;
nonionic surfactant
neamineneamine : 2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group.

neamine: fragment of NEOMYCIN B; structure in first source
2,6-dideoxy-alpha-D-glucoside;
aminoglycoside
antibacterial agent
teleocidin b-4teleocidins: structure; RN given refers to teleocidin
leupeptinaldehyde;
tripeptide
bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
picropodophyllinpicropodophyllin: 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 8895SoRI 8895: RN in first source
meridinemeridine: polycyclic alkaloid derived from the marine sponge Corticium sp; structure given in first source
9-methoxyellipticine9-methoxyellipticine: RN given refers to parent cpd
methyl fluorone blackmethyl fluorone black: structure
alpha-lapachonealpha-lapachone: structure in first sourceorganic heterotricyclic compound;
organooxygen compound
xyloidone
1-aminohydantoin1-aminohydantoin: a metabolite of nitrofurantoinimidazolidine-2,4-dione
2-aminonicotinic acid2-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
sori 8890SoRI 8890: RN in first source
vexibinolsophoraflavanone 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
beta-aminoglutaric acid3-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 acidalgal metabolite;
marine metabolite
rebeccamycinrebeccamycin : 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
voacaminealkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
plant metabolite
doripenemDoripenem: 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
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor
chrysomycin achrysomycin A: Streptomyces arenae; differs only in sugar moiety from gilvocarcin Vglycoside
fangchinolinearomatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle
anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
agroclavineagroclavine : An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.

agroclavine: structure
ergot alkaloid
tryptanthrinetryptanthrine: minor constituent of traditional Chinese medicine qing daialkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
arjunolic acidarjunolic acid : A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). Isolated from Symplocos lancifolia and Juglans sinensis, it exhibits antioxidant and antimicrobial activities.

arjunolic acid: oleanane type; isol from Cochlospermum tinctorium (Bixaceae); structure given in first source; RN given refers to (2alpha,3beta,4alpha)-isomer; RN for cpd without isomeric designation not avail 12/89
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
antibacterial agent;
antifungal agent;
antioxidant;
metabolite
maslinic acid(2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoriadihydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
thiazole-4-carboxamide adenine dinucleotidethiazole-4-carboxamide adenine dinucleotide: structure given in first source
1-aminoisoquinoline
pramoxine hydrochloridearomatic ether
2-amino-1-methylbenzimidazole2-amino-1-methylbenzimidazole: structure in first sourcebenzimidazoles
fluoren-9-olfluoren-9-ol : A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon).hydroxyfluorenes;
secondary alcohol
animal metabolite
2-phenylisatogen2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure
2,5-di-tert-butyl-4-hydroxyanisole2,5-di-tert-butyl-4-hydroxyanisole: structure given in first sourcemethoxybenzenes;
phenols
4-nitrobenzyloxyamine4-nitrobenzyloxyamine: RN given refers to HCl; RN for parent cpd not in Chemline 8/1/83; structure given in first source
atovaquoneatovaquone : 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
4-(2-thiazolylazo)resorcinol4-(2-thiazolylazo)resorcinol: sensitive indicator for metals
4-methoxybenzylamine1-(4-methoxyphenyl)methanamine : An aralkylamino compound that is benzylamine substituted by a methoxy group at the para position.aralkylamino compound;
aromatic ether;
primary amino compound
p-Aminobenzamidine dihydrochlorideorganic molecular entity
2,3-bis(benzoyloxy)tartaric acid2,3-bis(benzoyloxy)tartaric acid: SNC-86 refers to (-)dibenzoyl-L-tartaric acid salt
adipostatin aadipostatin A: allergen from cashew nut shell oil; as adipostatin found as inhibitor of glycerol-3-phosphate dehydrogenase from Streptomyces; Also found in bees; do not confuse with cardol, RN 57486-25-6, MF unknown;

cardol : Resorcinol substituted at position 5 by a pentadecyl chain.
5-alkylresorcinolEC 1.1.5.3 (glycerol-3-phosphate dehydrogenase) inhibitor
4-Methoxybenzamidebenzamides
2,4,6-tripyridyl-s-triazine2,4,6-tripyridyl-s-triazine: color reagent for serum iron; RN given refers to parent cpd
monomethyl succinatemonomethyl succinate : A dicarboxylic acid monoester that is succinic acid in which one of the carboxy groups has been converted to its methyl ester.

monomethyl succinate: RN given refers to parent cpd
dicarboxylic acid monoester;
hemisuccinate
4'-methoxyflavone4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first sourceether;
flavonoids
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
5-cyanouracil
6-chloronicotinic acidaromatic carboxylic acid;
pyridines
n-hydroxysuccinimideN-hydroxysuccinimide: structure
lotrafiban
1,8-diazabicyclo(5.4.0)undec-7-ene
benzylphosphonic acidbenzenes
7-nitro-1h-indole-2-carboxylic acid7-nitro-1H-indole-2-carboxylic acid: acts on AP endonuclease, 3'-phosphodiesterase, and 3'-phosphatase activities of APE1; structure in first source
ethyl 3-amino-1h-pyrazole-4-carboxylateethyl 3-amino-1H-pyrazole-4-carboxylate: structure in first source
gamma-glutamine-4-nitroanilidegamma-glutamine-4-nitroanilide: substrate for glutaminase B.; RN given refers to (L)-isomer
cryptolepinecryptolepine : 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
ro 22-3581
8-(4-tolylsulfonylamino)quinoline8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first sourcesulfonamide
4-phenylbutylamine4-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
d-aspartic acidaspartic acid;
D-alpha-amino acid
mouse metabolite
ketorolac tromethamineketorolac 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 saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
fentanyl isothiocyanatefentanyl isothiocyanate: specific reagent for irreversible inactivation of delta opiate receptors in rat brain membranes; structure given in first sourcepiperidines
3-demethylthiocolchicine3-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85
priminprimin : A 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position.

primin: contact allergen found in the ornamental plant Primula obconica Hance
1,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite
coenzyme aadenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite
5-aminoindazole
n-acetylalanineN-acetyl-L-alanine : An N-acetyl-L-amino acid that is L-alanine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.

N-acetylalanine: immunodominant determinant of acidic surface antigen from culture filtrate of human strain of Staph aureus
L-alanine derivative;
N-acetyl-L-amino acid
human metabolite;
Saccharomyces cerevisiae metabolite
tandospironetandospirone : 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 hydrochloridetiagabine 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.hydrochlorideanticonvulsant;
GABA reuptake inhibitor
c.i. direct red 23C.I. Direct Red 23: azo dye; structure in first source
mephenterminesphinganine : A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration.2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite
prochlorperazine edisylate salt
homocysteinehomocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.

Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.

L-homocysteine : A homocysteine that has L configuration.
amino acid zwitterion;
homocysteine;
serine family amino acid
fundamental metabolite;
mouse metabolite
2-(2,6-dioxopiperidin-3-yl)phthalimidine2-(2,6-dioxopiperidin-3-yl)phthalimidine: thalidomide analog; structure; RN given refers to cpd without isomeric designation
8-((4-chlorophenyl)thio)cyclic-3',5'-amp8-((4-chlorophenyl)thio)cyclic-3',5'-AMP: lowers cAMP in heart & fat cells; cAMP-dependent kinase inhibitor

8-(4-chlorophenylthio)-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
aryl sulfide;
organochlorine compound
protein kinase agonist
9-hydroxyellipticine9-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
peptide elongation factor 2(S)-thalidomide : A 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre.2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dioneteratogenic agent
n(6)-benzyladenosineN(6)-benzyladenosine: RN given refers to parent cpd
tarenflurbiltarenflurbil: 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 acidN-(4,4-diphenyl-3-butenyl)nipecotic acid: structure given in first sourcediarylmethane
mci 9038peptide
acetoxyestronepuboestrene: from the bark of Holarrhena pubescens; structure in first source
methyl lithocholatemethyl lithocholate: RN given refers to (3alpha,5beta)-isomer
tyrphostin 8tyrphostin 8: a tyrosine kinase inhibitor (a tyrphostin)phenols
(6ar-trans)-isomer of tetrahydrocannabivarin 9
coumarin 7coumarin 7: structure in first source
8-thio-benzyl cyclic amp8-thio-benzyl cyclic AMP: RN given refers to parent cpd
5-Methoxyflavone5-methoxyflavone: DNA polymerase-beta inhibitor and neuroprotective agent against beta-amyloid toxicity; structure in first sourceether;
flavonoids
7-chloro-4-aminoquinoline7-chloro-4-aminoquinoline: structure given in first sourceaminoquinoline
efuamideefuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source
osajinosajin: from Maclura pomiferaisoflavanones
o(6)-n-butylguanine
6-ethylguanine6-ethylguanine: found in rat brain DNA
sym 2081
8-mercaptoquinoline8-mercaptoquinoline: structure given in first source
quercetin 5,7,3',4'-tetramethyl etherquercetin 5,7,3',4'-tetramethyl ether : A tetramethoxyflavone that is the 5,7,3',4'-tetramethy-derivative of quercetin.flavonols;
tetramethoxyflavone
plant metabolite
bromotubercidin
5-iodotubercidin7-iodotubercidin: inhibits Toxoplasma gondii adenosine kinaseorganoiodine compound
5-chlorotubercidin
4-hydroxybenzylamine4-hydroxybenzylamine: RN given refers to parent cpdaromatic amine
Koenimbinekoenimbin: has antineoplastic activity; isolated from curry leaf, Murraya koenigii; structure in first sourcecarbazoles
s-(4-bromobenzyl)glutathioneS-(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
oxoglaucine1,2,9,10-tetramethoxy-7H-dibenzo(de,g)quinolin-7-one: a phosphatidylinositol 3-kinase p110alpha inhibitor that reactivates latent HIV-1; structure in first sourceisoquinoline alkaloid
1-methyltryptophannon-proteinogenic alpha-amino acid;
tryptophan derivative
antineoplastic agent;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
1-amino-1-phenylmethyl phosphonic acid1-amino-1-phenylmethyl phosphonic acid : A member of the class of phosphonic acids that is phosphonic acid having a amino(phenyl)methyl group attached to the phosphorus.benzenes;
phosphonic acids;
primary amino compound
delta(9)-tetrahydrocannabinolic acidDelta(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
quindolinequindoline: a fused indole-quinoline alkaloid from CRYPTOLEPIS sanguinolenta; structure
2-phenylindolone
5-vinyluracil5-vinyluracil: RN given refers to unlabeled parent cpd
zpckZPCK: alkylates histidine residue at active center of bovine chymotrypsin
4-methoxydalbergione4-methoxydalbergione: causes dermititis; RN given refers to cpd without isomeric designation
8-chloro-cyclic adenosine monophosphate
malabaricone cmalabaricone C: from maize (Myristica fragrans); structure given in first sourcebutanonemetabolite
n-acetyldopamineN-acetyldopamine : A secondary carboxamide obtained by formal condensation of the carboxy group of acetic acid with the amino group of dopamine. A dopamine metabolite.acetamides;
catechols;
N-(fatty acyl)-dopamine;
secondary carboxamide
human urinary metabolite;
marine metabolite
denitro-kt-1denitro-KT-1: structure given in first source; analog of KT-1 with nitro group replaced by hydroxy group
5,4'-dihydroxy-3,6,7,8,3'-pentamethoxyflavone5,4'-dihydroxy-3,6,7,8,3'-pentamethoxyflavone: a flavonol isolated from Polanisia dodecandra; structure given in first source
methyl mannoside, (alpha-d)-isomermethyl alpha-D-mannoside : A methyl mannoside having alpha-configuration at the anomeric centre.

methylmannoside: RN given refers to (D)-isomer; see also record for 3-O-methylmannose
alpha-D-mannoside;
methyl mannoside
benzyloxyaminebenzyloxyamine: RN given refers to parent cpd
alexidine dihydrchloride
4-hydroxycarbazole4-hydroxycarbazole: structure in first source
u 731221-(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 acidarginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition systemoligopeptide
cp-55,940
u 74006ftirilazad: 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 Freedoxcorticosteroid hormone
way 100635
vanoxerinevanoxerine 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.hydrochloridedopamine uptake inhibitor
3,3',4,4',5,5'-hexabromobiphenyl
indolactam vindolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first sourceindoles
fpl 55712FPL 55712: inhibitor of SRS-A and LTC4 and LTD4 receptorsaromatic ketone
paxillinepaxilline : 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
(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 esterbeta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first sourcebeta-carbolines
tuamine sulfate
sivelestatsivelestat: inhibitor of neutrophil elastase; structure given in first sourceN-acylglycine;
pivalate ester
arginyl-glycyl-aspartyl-serinearginyl-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
gr 127935GR 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-hydroxydopa6-hydroxydopa: RN given refers to cpd without isomeric designationnon-proteinogenic alpha-amino acid
dihydrokainatedicarboxylic acid
ecopipamecopipam: structure given in first sourcebenzazepine
s-methylthiocitrullineS-methyl-L-thiocitrulline : An L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group.

S-methylthiocitrulline: a nitric oxide synthase inhibitor; structure in first source
imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent
n(g)-iminoethylornithineL-alpha-amino acid
triptolidediterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound
antispermatogenic agent;
plant metabolite
3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide3-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
sepimostate mesilatesepimostate mesilate: used in therapy of pancreatitis; structure given in first source
parthenolidegermacranolide
3'-amino-2',3'-dideoxythymidine
tamibarotenetamibarotene : 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
tadalafilbenzodioxoles;
pyrazinopyridoindole
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
3',4'-dichlorobenzamil3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heartguanidines;
pyrazines
florfenicolflorfenicol : A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture.

florfenicol: structure given in first source
organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone
antimicrobial agent
tanshinonetanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agentabietane diterpenoidanticoronaviral agent
cinnabarinic acidcinnabarinic acid: structurephenoxazine
gastrodingastrodin: the glucoside of 4-hydroxybenzyl alcohol (gastrodigenin); isolated from Gastrodia elata Blume;glycoside
icrf 1934,4'-(1,2-dimethyl-1,2-ethanediyl)bis-2,6-piperazinedione: structure given in first source; RN given refers to cpd without isomeric designation

ICRF-193 : An N-alkylpiperazine that is butane which is substituted by a 3,5-dioxopiperazin-1-yl group at positions 2 and 3. The meso isomer.
paliperidone3-{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
sc 581251-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole: a COX-2 inhibitororganofluorine compound;
pyrazoles;
sulfone
antineoplastic agent;
cyclooxygenase 2 inhibitor
glycolithocholic acidglycolithocholic acid : The glycine conjugate of lithocholic acid.

glycolithocholic acid: RN given refers to (3alpha,5beta)-isomer
bile acid glycine conjugate;
N-acylglycine
nitisinone(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
4'-hydroxydiclofenac4'-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
marimastatmarimastat : 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 acidmonocarboxylic acid;
pentacyclic triterpenoid;
triol
angiogenesis modulating agent;
metabolite
eserolineeseroline : 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
cp 115953CP 115953: enhances topoisomerase II-mediated DNA cleavage; structure given in first source
pramipexolepramipexole : 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
valdecoxibisoxazoles;
sulfonamide
antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
parecoxibparecoxib : An N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib.

parecoxib: structure in first source
isoxazoles;
N-sulfonylcarboxamide
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
3-phenyl-1H-pyrazole-5-carboxylic acidpyrazoles;
ring assembly
4-phenylpyrrolidone-2
sb 204070aSB 204070A: structure given in first source; a selective 5-HT(4) receptor antagonist
dx 9065
efegatranefegatran: RN & structure given in first source; RN given refers to parent cpd (D)-isomer
acetylphenylalanyl-prolyl-boroarginineAc-(D)Phe-Pro-boroArg-OH : A C-terminal boronic acid petide that is N-acetyl-D-phenylalanyl-L-prolyl-L-arginine in which the C-termnal carboxy group has been replaced by a borono (-B(OH)2) group. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.

DuP-714 : A hydrochloride resulting from the formal reaction of equimolar amounts of Ac-(D)Phe-Pro-boroArg-OH and hydrogen chloride. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.
acetamides;
C-terminal boronic acid peptide;
guanidines
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
a 68930A 68930: D-1 dopamine receptor agonist2-benzopyran
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
n-benzyloxycarbonylprolylprolinalN-benzyloxycarbonylprolylprolinal: inhibitor of prolyl endopeptidase
5-amidinoindole
celastrolmonocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
pd-117596PD-117596: structure given in first source
npf-etoposideNPF-etoposide: RN given refers to (5R-(5alpha,5abeta,8aalpha,9beta))-isomer; structure in first source
imatinib mesylateimatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
mk 0663bipyridines;
organochlorine compound;
sulfone
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine: structure given in first source

1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine : A tertiary amino compound that consists of cyclohexane having piperidin-1-yl and benzothiophen-2-yl groups attached at position 1. A potent dopamine re-uptake inhibitor with a behavioral profile different from that of phencyclidine (PCP) and similar to that of cocaine.
1-benzothiophenes;
piperidines;
tertiary amino compound
dopamine uptake inhibitor
nnc 711NNC 711: structure in first source
glycyl-arginyl-glycyl-aspartyl-serineglycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells
n,n-dimethylarginineN,N-dimethylarginine: asymmetric dimethylarginine; do not confuse with N,N'-dimethylarginine

N(omega),N(omega)-dimethyl-L-arginine : A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group.
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor
antibiotic g 418antibiotic G 418: from Micromonospora rhodorangea
n(omega)-hydroxyarginineN(5)-[(Z)-amino(hydroxyimino)methyl]-L-ornithine : An N(5)-[amino(hydroxyimino)methyl]-L-ornithine in which the double bond has Z-configuration.

N(omega)-hydroxyarginine: can cause vasorelaxation of bovine intrapulmonary artery; structure given in first source
amino acid zwitterion;
N(5)-[(E)-amino(hydroxyimino)methyl]ornithine;
N(5)-[(hydroxyamino)(imino)methyl]ornithine;
N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine;
N(5)-[amino(hydroxyimino)methyl]-L-ornithine;
N(5)-[amino(hydroxyimino)methyl]ornithine;
N(omega)-hydroxy-L-arginine
kelatorphankelatorphan: inhibitor of enkephalin metabolism; structure given in first source
desloratadinedesloratadine : 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
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
skullcapflavone iiscullcapflavone II : A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7, 8 and 6' and hydroxy groups at positons 5 and 2' respectively.

skullcapflavone II: cytotoxic principle from Scutellariae radix; structure given in first source
dihydroxyflavone;
tetramethoxyflavone
anti-asthmatic drug;
plant metabolite
6-bromo-8-methylaminoimidazo(1,2-a)pyrazine-2-carbonitrile6-bromo-8-methylaminoimidazo(1,2-a)pyrazine-2-carbonitrile: a smooth muscle relaxant that opens potassium channels
s-tubercidinylhomocysteine
2-(n-myristoylamino)-1-phenyl-1-propanol2-(N-myristoylamino)-1-phenyl-1-propanol: ceramidase inhibitor; RN given for ((R*,S*)-(+-))-isomer; structure in first sourcealkylbenzene
o(6)-methyldeoxyguanylic acidO(6)-methyldeoxyguanylic acid: incorporated into DNA by DNA polymerase I & II
desvenlafaxineO-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
di-n-desethylamiodaronedi-N-desethylamiodarone: amiodarone metabolite in dogs; structure given in first source
o(6)-benzyl-2'-deoxyguanosine
rti-coc 32RTI-COC 32: structure given in first source; RN given refers to (1R-(exo,exo))-isomer; RN for cpd without isomeric designation not available 4/91
alteichinalteichin: unusual phytotoxin from Alternaria eichorniae, fungal pathogen of water hyacinth; doubly hydrated form of 4,9-dihydroxyperylene-3,10-quinonepolyphenol
przewaquinone dprzewaquinone D: isolated from root of Salvia przewalskii; structure given in first source; RN given refers to the trans- isomer, przewaquinone D
indatralineindatraline: RN given for (trans)-isomer; structure in first sourceindanes
n(alpha)-tosyl-(3-amidinophenyl)alanine piperidideN(alpha)-(4-toluenesulfonyl)-3-amidinophenylalanylpiperidine: binds to thrombin & trypsin; structure given in first source
lestaurtinibindolocarbazole
sb 200646N-(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 saltindoles
n-hydroxy-4-phosphonobutanamideN-hydroxy-4-phosphonobutanamide: structure given in first source
methotrexatedicarboxylic 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
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine
desacetyluvaricindesacetyluvaricin: isolated from Uvaria accuminata; structure given in first source
vestra
reboxetineReboxetine: A morpholine derivative that is a selective and potent noradrenaline reuptake inhibitor; it is used in the treatment of DEPRESSIVE DISORDER.aromatic ether
estrone-3-o-sulfamateestrone-3-O-sulfamate: a steroid sulfatase inhibitor
1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine1,2,3,6-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
1,4-dideoxy-1,4-iminoarabinitol1,4-dideoxy-1,4-iminoarabinitol: RN given refers to (2S-(2alpha,3beta,4alpha))-isomer; structure given in first source
2-(3,4-dichlorophenyl)-n-methyl-n-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide2-(3,4-dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide: structure in first source; kappa opioid receptor antagonist
3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5h)-furanone3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone: structure given in first source
cdp 840
n 0734N 0734: dopamine receptor agonist; structure given in first source
5'-deoxytoyocamycin5'-deoxytoyocamycin: from Streptomyces sp. A14345; structure given in first source
ne 58051NE 58051: inhibits tumor cell adhesion to extracellular matrices; structure in first source
cyanidincyanidin 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-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
cyclopentenyluracilcyclopentenyluracil: does not have antiviral acitivity in contrast to cyclopentenylcytosine; RN given refers to (1R-(1alpha,4beta,5beta)-isomer); RN for cpd without isomeric designation not avail 6/91
clitocineclitocine: structure & RN given in first sourceN-glycosyl compound
bwa 137c
bis(2-(n-phenylcarboxamido)phenyl)diselenidebis(2-(N-phenylcarboxamido)phenyl)diselenide: selenoorganic cpd which has mitogenic activity in human peripheral leukocytes
y 590
foy 2514-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate
7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine: inibits growth of B16 melanoma & MCF-7 mammary carcinoma cells
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide
glycyl- arginyl-glycyl-aspartyl-seryl-prolyl-lysine
ym 529YM 529: inhibits osteoclastic bone resorption; structure given in first source
pyrophenpyrophen: structure given in first source
cercosporamidecercosporamide : A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii.

cercosporamide: antineoplastic; RN refers to (S)-isomer
dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol
antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin
mk 287MK 287: RN given refers to the trans-(-)-isomer L-680573; L-680574 is an optical enantiomer; L-668750 is the racemic mixture; structure given in first source
ici d2138ICI D2138: structure given in first source; inhibitor of leukotriene B4 synthesis
ilomastatCS 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-trparginyl-glycyl-aspartyl-tryptophan: a synthetic RGD-containing peptide
gp 1-515GP 1-515: an adenosine kinase inhibitor; structure given in first source
fk 633((4-(4-amidinophenoxy)butanoyl)aspartyl)valine: structure given in first source
l 7330603-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine: RN given refers to (2S-cis)-isomer; L-733,061 is pharmacologically inactive; structure in first sourcepiperidines
omega-n-methylarginineN(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.

omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.
amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
b 581B 581 : A dipeptide obtained from the tetrapeptide Cys-Val-Phe-Met by reduction of the amide carbonyl groups of the Cys and Val residues.

B 581: blocks farnesylated but not geranylgeranylated or myristylated, oncogenic Ras signaling & transformation
dipeptideEC 2.5.1.58 (protein farnesyltransferase) inhibitor;
peptidomimetic
5,8-dihydroxy-3-methyl-4-(9h)-naphtho(2,3-c)furanone5,8-dihydroxy-3-methyl-4-(9H)-naphtho(2,3-c)furanone: isolated from Micromonospora sp. KY7123; structure given in first source
l 741742L 741742: selective toward D4 receptors; structure in first sourceprimary amine
ml-3000
sonepiprazole
l 7416263-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first sourcepiperidines
2-bromohippuric acid
sk&f 89124SK&F 89124: structure given in first source
retrothiorphanretrothiorphan: RETRO-THIORPHAN was an EN to THIORPHAN 1989-93
nisoxetine hydrochloride
pomalidomide3-aminophthalimidoglutarimide: structure in first sourcearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
sk&f 100330-aSK&F 100330-A: structure given in first source
ng-nitroarginine methyl esterN(gamma)-nitro-L-arginine methyl ester hydrochloride : A hydrochloride obtained by combining N(gamma)-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid.hydrochlorideEC 1.14.13.39 (nitric oxide synthase) inhibitor
cd 437CD 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
5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone: has antineoplastic activity; structure in first sourceether;
flavonoids
3',4'-dihydroxyflavone3',4'-dihydroxyflavone: inhibitors of arachidonic acid peroxidation
prolineproline : 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
harmalol hydrochloride
3-octylthio-1,1,1-trifluoro-2-propanone3-octylthio-1,1,1-trifluoro-2-propanone: a pesticide synergist; inhibits juvenile hormone esterase
sk&f-38393
gl 331GL 331: structure in first source
docetaxelhydrate;
secondary alpha-hydroxy ketone
antineoplastic agent
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
1,2-dioctanoylglycerol1,2-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
levofloxacinlevofloxacin : 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
9-(2-hydroxy-3-nonyl)adenine(2R,3S)-EHNA : EHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.EHNAEC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor
9-(2-hydroxy-3-nonyl)adenine(2S,3R)-EHNA : EHNA of absolute configuration 2S,3R.EHNA
3,3',4',5,6,7,8-heptamethoxyflavone3,3',4',5,6,7,8-heptamethoxyflavone: has anti-inflammatory activity; isolated from citrus fruit; exhibit antiadhesive action on plateletsether;
flavonoids
cox 189lumiracoxib : An amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity.

lumiracoxib: a COX-2 inhibitor
amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
cilomilastmethoxybenzenes
ptk 787vatalanib 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 saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
vatalanibmonochlorobenzenes;
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
evodiaminebeta-carbolines
enkephalin-leu, des-tyr(1)-enkephalin-Leu, des-Tyr(1)-: RN given refers to all (L)-isomer
4-methylthioamphetamine4-methylthioamphetamine: structure given in first source
moxifloxacinmoxifloxacin : 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
vx 497N-3-(3-(3-methoxy-4-oxazol-5-ylphenyl)ureido)benzylcarbamic acid tetrahydrofuran-3-yl ester: structure in first source
rostafuroxinrostafuroxin: structure in first source
l 738167L 738167: structure in first source
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
solifenacinisoquinolines
dexmethylphenidatedexmethylphenidate : A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have R configuration. It is the active enantiomer in the racemic drug methylphenidate.methyl phenyl(piperidin-2-yl)acetateadrenergic agent
rp 73401piclamilast : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.

piclamilast: an antiasthmatic agent and phosphodiesterase 4 inhibitor; structure in first source
aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor
moracin cbenzofurans
8-methoxymethyl-3-isobutyl-1-methylxanthine8-methoxymethyl-3-isobutyl-1-methylxanthine: inhibitor of phosphodiesterase Ioxopurine
varespladibaromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide
anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
ly 311727LY 311727: a potent & selective inhibitor of human non-pancreatic secretory phospholipase A2; structure given in first source
atractylenolide iiiatractylenolide III: from Atractylodes macrocephala Koidz; structure in first sourcenaphthofuranmetabolite
chloroethylnorapomorphinechloroethylnorapomorphine: irreversible dopamine receptor antagonist; RN given refers to (R)-isomer; structure given in first source
naproxennaproxen : 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
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
ustiloxin dustiloxin D: an antimitotic cyclic peptide; from false smut balls on rice panicles caused by Ustilaginoidea virens; structure given in first sourceoligopeptide
benzamide adenine nucleotidebenzamide adenine nucleotide: structure given in first source
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
(+)-rolipram(+)-rolipram : The (S)-enantiomer of rolipram.rolipram
telbivudinepyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
jte 522tilmacoxib : A member of the class of 1,3-oxazoles that is that is 1,3-oxazole which is substituted at positions 2, 4 and 5 by methyl, cyclohexyl, and 3-fluoro-4-sulfamoylphenyl groups, respectively.

tiracoxib: The combined administration of tiracoxib with probucol significantly inhibited the tumor growth. The angiogenesis was markedly reduced; no further information available 1/31/2001
1,3-oxazoles;
organofluorine compound;
sulfonamide
cyclooxygenase 2 inhibitor
rhodiolosideglycoside
7-octylindolactam v7-octylindolactam V: only (-)-isomer has carcinogenic activity
bb3497BB3497: peptide deformylase inhibitor; structure in first source
resiquimodS 28463: structure given in first sourceimidazoquinoline
4-guanidinobenzoate4-guanidinobenzoate: RN given refers to parent cpd

4-guanidinobenzoic acid : Benzoic acid substituted at the para position by a guanidino group.
benzoic acids;
guanidines
perlolyrineperlolyrine: structure given in first sourceorganic molecular entitymetabolite
cryptotanshinonecryptotanshinone: from Salvia miltiorrhizaabietane diterpenoidanticoronaviral agent
2-(phenylmethyl)-1-naphthol2-(phenylmethyl)-1-naphthol: structure in UD
cyc 202seliciclib : 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-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
n-phthaloylglutamic acidN-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
harmalanharmalan: structure given in first sourceharmala alkaloid
cannabidiolic acidcannabidiolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group.

cannabidiolic acid: structure
dihydroxybenzoic acid;
phytocannabinoid;
polyketide;
resorcinols
4-hydroxybenzyl isothiocyanate4-hydroxybenzyl isothiocyanate: found in white mustard; structure in first sourcephenols
4'-demethyldesoxypodophyllotoxin4'-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
2-phenyl-4-oxohydroquinoline2-phenyl-4-oxohydroquinoline: structure given in first source
8-(4-benzenesulfonylamino)quinoline8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source
6-n-tridecylsalicylic acid6-n-tridecylsalicylic acid: structure given in first sourcehydroxybenzoic acid
ceanothic acidceanothic acid: isolated from Ceanothus americanus; structure in first source
corydalminecorydalmine: antagonizes dopamine receptors; structure given in first source; RN given refers to (S)-isomer
n(6)-benzyl-cyclic adenosine 5'-monophosphate
3-(n-acetyl-n-hydroxy)aminopropylphosphonic acid3-(N-acetyl-N-hydroxy)aminopropylphosphonic acid: from Streptomyces rubellomurinus sp. nov.; interferes with bacterial cell wall synthesis; structure in first sourcephosphonoacetic acid
malabaricone bmalabaricone B: from maize (Myristica fragrans); structure given in first source
milnacipran hydrochlorideacetamides
fasudil hydrochloridefasudil hydrochloride : A hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid.hydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator agent
sk&f 107260SK&F 107260: structure given in first source
ustiloxin austiloxin A: a modified peptide from the fungus Ustilaginoidea virens or false smut ball; structurally similar to phomopsin A; structure given in first source
thymidine 5'-diphosphatedTDP : 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 atashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first sourceabietane diterpenoid
5-fluorotryptamine5-fluorotryptamine: RN given refers to parent cpd
serine o-sulfateL-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)-one2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen
paromomycinparomomycin : An amino cyclitol glycoside that is the 1-O-(2-amino-2-deoxy-alpha-D-glucopyranoside) and the 3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranoside of 4,6-diamino-2,3-dihydroxycyclohexane (the 1R,2R,3S,4R,6S diastereoisomer). It is obtained from various Streptomyces species. A broad-spectrum antibiotic, it is used (generally as the sulfate salt) for the treatment of acute and chronic intestinal protozoal infections, but is not effective for extraintestinal protozoal infections. It is also used as a therapeutic against visceral leishmaniasis.

Paromomycin: An aminoglycoside antibacterial and antiprotozoal agent produced by species of STREPTOMYCES.
amino cyclitol glycoside;
aminoglycoside antibiotic
anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
anacardic acidanacardic 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
mahanimbinemahanimbine: from Murraya koenigii leaves; structure in first sourcecarbazoles
boswellic acidboswellic acid: ursane type; RN given refers to (3alpha,4beta)-isomer; active principle of salai guggal; see also record for salai guggaltriterpenoid
cussonoside bcussonoside B: triterpene saponin from Cussonia barteri bark; structure given in first source
aminopterinAminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic.dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
aminobutane bisphosphonateaminobutane bisphosphonate: may be useful measure for controlling hypercalcemia in patients with carcinoma
n-demethyllysergic acid diethylamideN-demethyllysergic acid diethylamide: RN given refers to (betaa)-isomer
n,n-di-n-propylserotoninN,N-di-n-propylserotonin: structure given in first source
s-adenosyl-3-thiopropylamineS-adenosyl-3-thiopropylamine : A thioadenosine that is adenosine in which the hydroxy group at C-5' is replaced by a 3-aminopropyl group.

S-adenosyl-3-thiopropylamine: decarboxylated S-adenosylhomocysteine; RN given refers to parent cpd
organic sulfide;
primary amino compound;
thioadenosine
cussonoside acussonoside A: triterpene saponin from Cussonia barteri (Araliaceae) with sedative effect;
delta-n-methylarginineN(5)-methyl-L-arginine : A non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at N(5)-position.guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
gr 144053GR 144053: structure given in first sourcepiperazines
ro 21-76342-methoxy-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid: NM same as N1 (9CI); RN given refers to parent cpd; structure in first source
sb 203580imidazoles;
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
sb 216763indoles;
maleimides
enzastaurinindoles;
maleimides
sch 58261triazolopyrimidines
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
cilengitideCilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cellsoligopeptide
4'-o-methylepigallocatechin4'-methylepigallocatechin: antispasmodic from Maytenus rigida Mart (Celestraceae); structure in first sourcecatechinmetabolite
roxifibanroxifiban: structure in first source
xv 459XV 459: structure in first source
l 767679L 767679: structure in first source
l 734217L 734217: fibrinogen receptor antagonist; structure given in first source
orbofibanorbofiban: structure in first source
betulinan abetulinan A: a lipid peroxidation inhibitor; from Lenzites betulina; structure given in first source
cucurbitacin r23,24-dihydrocucurbitacin D : A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5.

cucurbitacin R: from Cayaponia tayuya roots; structure in first source
23,24-dihydrocucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
chrysene-1,4-dionephenanthrenes
2,4-diamino-6-benzyloxy-5-nitrosopyrimidine2,4-diamino-6-benzyloxy-5-nitrosopyrimidine: inhibits O(6)-alkylguanine-DNA alkyltransferase; structure given in first source
nantenine, (+-)-isomer
4',6-dihydroxyflavone4',6-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 4' and 6.dihydroxyflavone
melagatranazetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
sibenadetsibenadet: structure in first source
hydroxycitric acidcarbonyl compound
fixb protein, e colialpha-D-mannose : D-Mannopyranose having alpha-configuration at the anomeric centre.

alpha-D-mannoside : Any mannoside in which the anomeric centre has alpha-configuration.

muscarinic toxin 2: muscarinic agonists from Dendroaspis angusticeps; amino acid sequence given in first source
D-mannopyranoseepitope
dioxiramdioxiram: structure given in first source
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
6-chloropurine 9-beta-d-ribofuranosyl 5'-monophosphate
o-(4-ethoxybutyl)berbamineO-(4-ethoxybutyl)berbamine: structure given in first source; calmodulin antagonist
isospaglumic acidAc-Asp-Glu : A dipeptide composed of N-acetyl-L-aspartic acid and L-glutamic acid joined by a peptide linkage.

isospaglumic acid: mediator in the sensitivity of animals to hyperbaric oxygenation; Naaxia is the tradename; apparently can have both a neuroprotective and a neurotoxic effect
dipeptidehuman metabolite
ngd 94-1NGD 94-1: D(4) receptor antagonist; structure in first source
2-amino-5,6-dihydro-4h-1,3-thiazine2-amino-5,6-dihydro-4H-1,3-thiazine: RN given refers to parent cpd
beta-naphthamidinebeta-naphthamidine: RN given refers to parent cpd
etravirineaminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound
antiviral agent;
HIV-1 reverse transcriptase inhibitor
sq 14,6032-benzyl-3-mercaptopropanoic acid: structure; carboxypeptidase inhibitor
bisdethiobis(methylthio)gliotoxinbisdethiobis(methylthio)gliotoxin: structure given in first source; a platelet activating factor antagonist
3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)n-hydroxy-5-methylhexanamide3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide: structure in first source
fr 122047aromatic amide;
thiazoles
methylphosphonothiolateorganothiophosphorus compound
benfluorex hydrochloride
ci 966CI 966: GABA uptake blocker; RN from Toxlitdiarylmethane
razaxabanrazaxaban: structure in first source
2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid1-benzothiophenes
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
firocoxibfirocoxib : An enol ether that is the cyclopropylmethyl ether of 3-hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2-one. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in horses and dogs.

firocoxib: a COX-2 inhibitor; structure in first source
butenolide;
cyclopropanes;
enol ether;
sulfone
antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
1H-indol-3-yl-(4-methoxyphenyl)methanoneN-acylindole
darunavirdarunavir : 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
cimicoxibcimicoxib : An imidazole substituted at positions 1, 4 and 5 by 4-aminosulfonylphenyl, chloro and 3-fluoro-4-methyoxyphenyl groups respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs.

cimicoxib: a COX-2 inhibitor; structure in first source
aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
4-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acidpyrroles
deferasiroxdeferasirox : 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
bms204352BMS204352: a calcium-sensitive opener of maxi-K potassium channels; structure in first source
dabigatrandabigatran : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism.

Dabigatran: A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation.
aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
pyridines
anticoagulant;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
EC 3.4.21.5 (thrombin) inhibitor
elarofibanelarofiban: 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
mesembrenonemesembrenone: a psychoactive compound isolated from Sceletium tortuosum; structure in first sourcepyrrolidines
lenalidomidearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamideindisulam : 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
roxindoleindolesalpha-adrenergic antagonist;
serotonergic drug
lacosamideLacosamide: 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
N-hydroxy-2-phenylacetamideacetamides
3-hydroxy-quinazoline-2,4-dione3-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
4-quinolone-3-carboxylic acid4-quinolone-3-carboxylic acid: structure in first source
cholic acidcholic 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
sitosterol, (3beta)-isomersitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3.

Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol
anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
estradiol 3-benzoate17beta-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
2-carbazol-9-ylbenzoic acidcarbazoles
gossypol acetic acid
tenulintenulin: toxic constituent of Helenium amarum (bitter sneezeweed); structuresesquiterpene lactone
lilial
3-cyanoindole
colchiceinecyclic ketone
(R)-Roemerineisoquinoline alkaloid
nsc 36398NSC 36398: structure in first source
benzatropine methanesulfonate
n-hydroxy-2,2-diphenylacetamideN-hydroxy-2,2-diphenylacetamide: a class IIa HDAC inhibitor; structure in first source
vinblastine sulfatealkaloid sulfate salt
vincaleukoblastineacetate 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
2-amino-4-methyl-3-nitropyridine
Porfiromycinemitomycin
lanosterol14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid
bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
benzaronebenzarone: antihemorrhagic agent; structure1-benzofurans
nsc 889154-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source
gardenin agardenin A: promotes neurite outgrowth; structure in first source
nsc 953971,4-naphthoquinones
4-methyl-2-quinazolinamine4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid: inhibits PH domain leucine-rich repeat protein phosphatase; structure in first source
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl esternaphthalenes
berbaminebisbenzylisoquinoline alkaloid;
isoquinolines
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
N-butyl-1H-benzimidazol-2-aminebenzimidazoles
oxopurpureineoxopurpureine: an oxoaporphine from leaves of Annona purpurea; structure in first sourceisoquinoline alkaloid
methyl 3,4-dihydroxybenzoatecatechols;
methyl ester
antioxidant;
neuroprotective agent;
plant metabolite
3-desmethylcolchicine3-desmethylcolchicine: structure
wortmanninacetate 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
nsc228155
3,6-bis(2-pyridyl)-1,2,4,5-tetrazine3,6-bis(2-pyridyl)-1,2,4,5-tetrazine: structure in first source
malabaricone amalabaricone A: from Myristica malabarica (rampatri), has antipromastigote activity; structure in first source
4-amino-N-(4-methoxyphenyl)-2-(methylthio)-5-thiazolecarboxamidearomatic amide
3',4',5'-trimethoxyflavone3',4',5'-trimethoxyflavone: structure in first sourceether;
flavonoids
anthricinanthricin: 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-methylquinazoline2-guanidine-4-methylquinazoline: structure given in first source
4-(2-Amino-1,3-thiazol-4-yl)phenolphenols
3,4-dihydroxyphenylpropionic acid3-(3,4-dihydroxyphenyl)propanoic acid : A monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity.

3,4-dihydroxyphenylpropionic acid: metabolite of caffeic acid; RN given refers to parent cpd; structure
(dihydroxyphenyl)propanoic acidantioxidant;
human xenobiotic metabolite
erianinErianin: from Dendrobium chrysotoxum; structure in first source
5-demethylnobiletin5-demethylnobiletin: antineoplastic from Citrus plants; structure in first sourceether;
flavonoids
3-(1h-indol-3-yl)pyrrolidine-2,5-dione3-(1H-indol-3-yl)pyrrolidine-2,5-dione: structure in first source
paullonepaullone : 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
5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone: an antineoplastic flavonol isolated from Polanisia dodecandra; structure given in first source
o-(chloroacetylcarbamoyl)fumagillolO-(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
nsc 663284NSC 663284: structure in first sourcequinolone
3-(9-acridinylamino)-5-hydroxymethylaniline3-(9-acridinylamino)-5-hydroxymethylaniline: structure in first source
nsc668394
2-ethoxyestradiol2-ethoxyestradiol: an antimitogenic agent that attenuates pulmonary hypertension; structure in first source
nsc681152
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
8-deoxygartanin8-deoxygartanin: a butyrylcholinesterase inhibitor; isolated from Garcinia mangostana; structure in first sourcexanthones
trapoxin atrapoxin B: from Helicoma ambiens; structure given in first source
Bardoxolonecyclohexenones
bardoxolone methylmethyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first sourcecyclohexenones
mequindoxMequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source
indoximod
1-hydroxypentane-1,1-bisphosphonate
cimadronatecimadronate: increases serum 1,25-dihydroxyvitamin D in rats via stimulating renal 1-hydroxylase activity; structure given in first source
1,1-hydroxyoctanodiphosphonate
5-amino-8-hydroxyquinoline5-amino-8-hydroxyquinoline: structure in first source
1-methyl-6-methoxy-dihydro-beta-carboline
18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acidalkaloid
gant 61GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source

GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.
aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
s-adenosylhomocysteineS-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
acetylglucosamineN-acetyl-D-hexosamine;
N-acetylglucosamine
bacterial metabolite
canavanineL-canavanine : A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic.amino acid zwitterion;
non-proteinogenic L-alpha-amino acid
phytogenic insecticide;
plant metabolite
naringenin(S)-naringenin : The (S)-enantiomer of naringenin.(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
5-hydroxytryptophan5-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
galactosebeta-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-galactopyranoseepitope;
mouse metabolite
ouabaincardiac 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
puromycinpuromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor
taxifolin(+)-taxifolin : A taxifolin that has (2R,3R)-configuration.taxifolinmetabolite
tosylphenylalanyl chloromethyl ketoneN-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
nitroarginineN(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.

Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6)
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid
willardiine3-(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
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
Tautomycincarboxylic ester
eriodictyoleriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.

eriodictyol: structure
3'-hydroxyflavanones;
tetrahydroxyflavanone
(R)-norlaudanosolinenorlaudanosoline
quinidinequinidine : 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 alkaloidalpha-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
digitoxindigitoxin : 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 glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavirsaquinavir : 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
hyperforinhyperforin : 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;
netilmicinNetilmicin: Semisynthetic 1-N-ethyl derivative of SISOMYCIN, an aminoglycoside antibiotic with action similar to gentamicin, but less ear and kidney toxicity.
miglitolpiperidines
nortriptyline hydrochlorideorganic tricyclic compoundgeroprotector
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
linezolidacetamides;
morpholines;
organofluorine compound;
oxazolidinone
antibacterial drug;
protein synthesis inhibitor
squamocinsquamocin: from seeds of Annona squamosa; a trihydroxy-bis-tetrahydrofuran fatty acid lactone; inhibits E. coli NADH:quinone oxidoreductase (NDH-1); structure given in first sourcepolyketide
carnosolcarnosol: isolated from Lepechinia hastataditerpenoid
hematoxylinhaematoxylin : 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
dihydropinosylvindihydropinosylvin : A member of the class of resorcinols carrying an additional 2-phenylethyl substituent at position 5.diphenylethane;
resorcinols
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
nanaomycin ananaomycin A : A pyranonaphthoquinone antibiotic from strain OS-3966 of Streptomyces rosa var. notoensis.

nanaomycin A: produced by a strain OS-3966 of Streptomyces rosa var. notoensis; quinone-related cpd; MF C16-H14-O6; see also nanaomycin B: 52934-85-7, nanaomycin C: 58286-55-8, nanaomycin E: 72660-52-7; structure
benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones
bacterial metabolite
gingerolgingerol : A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger.

gingerol: an active ingredient in GINGER along with SHOGAOL. a nonvolatile methoxy phenyl decanone
beta-hydroxy ketone;
guaiacols
antineoplastic agent;
plant metabolite
hinokininhinokinin : 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
cyclopaminepiperidinesglioma-associated oncogene inhibitor
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 acidmetabolite
N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamideanilide
e 3040E 3040: a dual inhibitor of 5-lipoxygenase and thromboxane A2 synthetase; structure given in first sourcebenzothiazoles;
organic hydroxy compound;
pyridines;
secondary amino compound
anti-inflammatory drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
uricosuric drug
phenylalanine arginine beta-naphthylamidephenylalanine arginine beta-naphthylamide: a drug efflux pump inhibitor; structure in first sourcepeptide
sc 57666stilbenoid
sb 228357SB 228357: a neuroleptic with equivalent or higher antagonist affinity for 5-HT2 than for dopamine D2 receptorindolyl carboxylic acid
sb 243213SB 243213: a 5-HT2c inverse agonist; structure in first sourceindolyl carboxylic acid
Telomestatin1,3-oxazoles
surfactin csurfactin 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
actinoninactinonin: natural hydroxamic acid, pseudopeptide antibiotic isolated from Streptomyces species; structure
epiafzelechin(-)-epiafzelechin : A catechin derivative having (2R,3R)-configuration.

epiafzelechin: antioxidant; 3'-deoxy form of epicatechin; structure in first source
catechinplant metabolite
mepirodipinemepirodipine: RN & structure given in first source; RN refers to (S,S)-isomerdihydropyridine
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
vinpocetinevinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designationalkaloidgeroprotector
darifenacindarifenacin : 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
maleic acidmaleic 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 acidalgal metabolite;
mouse metabolite;
plant metabolite
e-z cinnamic acidcinnamic 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 acidplant metabolite
retinylamineretinylamine: structure
benzamidinecarboxamidinium ion
trichostatin atrichostatin 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 STREPTOMYCESantibiotic antifungal agent;
hydroxamic acid;
trichostatin
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
tretinoinall-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 acidarachidonate : 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
fumaric acidfumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.

fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters
butenedioic acidfood acidity regulator;
fundamental metabolite;
geroprotector
phosphoramidonphosphoramidon : A dipeptide isolated from the cultures of Streptomyces tanashiensis.

phosphoramidon: a membrane metallo-endopeptidase & endothelin-converting enzyme inhibitor; thermolysin inhibitor from culture filtrate of Streptomyces tanashiensis; structure
deoxyaldohexose phosphate;
dipeptide
bacterial metabolite;
EC 3.4.24.11 (neprilysin) inhibitor;
EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
retinolall-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
cyanoginosin lrcyanoginosin LR: cyclic heptapeptide from cyanobacterium Microcystis aeruginosa

microcystin-LR : A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins.
microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
docosahexaenoateall-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
oleic acidoleic 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 acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
farnesyl pyrophosphate2-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 diphosphateEscherichia coli metabolite;
mouse metabolite
cerivastatincerivastatin : (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) 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.

cerivastatin: cerivastatin is the ((E)-(+))-isomer; structure given in first source
dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
cocainecocaine : 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
1,4-dideoxy-1,4-iminoarabinitol, (2r-(2alpha,3beta,4beta))-isomerpyrrolidines
eicosapentaenoic acidall-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
okadaic acidpolycyclic ethercalcium ionophore;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
marine metabolite
mycophenolic acidmycophenolate : 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
mupirocinmupirocin : 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
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
zithromaxazithromycin : 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 antibioticantibacterial drug;
environmental contaminant;
xenobiotic
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
vinyl-l-nio
apstatinapstatin: inhibits aminopeptidase P; structure given in first source
pd 166326PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor
hts 466284HTS 466284: a TGFbeta-RI inhibitor; structure in first sourcepyrazoles;
pyridines;
quinolines
TGFbeta receptor antagonist
epothilone bepothilone;
epoxide
antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent
y 27632Y 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
rolipram(-)-rolipram : The (R)-enantiomer of rolipram.rolipram
diethylstilbestroldiethylstilbestrol : 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
eptifibatidehomodetic cyclic peptide;
macrocycle;
organic disulfide
anticoagulant;
platelet aggregation inhibitor
7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine
6-bromoindirubin-3'-oxime6-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
purvalanol bpurvalanol B: protein kinase inhibitor; structure in first sourcepurvalanolprotein kinase inhibitor
arl 17477
repsoxRepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrectpyrazolopyridine
zeatinZeatin: An aminopurine factor in plant extracts that induces cell division. (Grant & Hackh's Chemical Dict, 5th ed)zeatinplant metabolite
cp-640186CP-640186: a potent inhibitor of mammalian Acetyl-coenzyme A carboxylases & can reduce body weight and improve insulin sensitivity in test animals; structure in first sourceanthracenes;
bipiperidines;
morpholines;
N-acylpiperidine
gamma-glutamyl hydroxamateglutamine hydroxamate : A hydroxamic acid that is L-glutamine hydroxylated at N-5.amino acid zwitterion;
glutamic acid derivative;
hydroxamic acid
mesoprammesopram: a potent & selective type IV phosphodiesterase inhibitor
roflumilastaromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound
anti-asthmatic drug;
phosphodiesterase IV inhibitor
tu-514
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
TTPpyrimidine ribonucleoside 5'-triphosphate
teniposidearomatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
kt 5720KT 5720 : An organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one.

KT 5720: indolocarbazole; synthetic derivative of K 252a
carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol
EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
12-deoxyphorbol 13-acetatephorbol estermetabolite
purvalanol a6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;purvalanol
dactinomycinDactinomycin: 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)actinomycinmutagen
isotetrandrine
aphidicolinaphidicolin : A tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication.

Aphidicolin: An antiviral antibiotic produced by Cephalosporium aphidicola and other fungi. It inhibits the growth of eukaryotic cells and certain animal viruses by selectively inhibiting the cellular replication of DNA polymerase II or the viral-induced DNA polymerases. The drug may be useful for controlling excessive cell proliferation in patients with cancer, psoriasis or other dermatitis with little or no adverse effect upon non-multiplying cells.
tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite
5-carboxy-8-hydroxyquinoline5-carboxy-8-hydroxyquinoline: a JmjC histone demethylase inhibitor; structure in first sourcequinolines
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
pd 146626kb-NB165-09: inhibitor of protein kinase D; structure in first source
benzyloxycarbonylleucyl-leucyl-leucine aldehydebenzyloxycarbonylleucyl-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
prinomastatprinomastat : 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
c2-mycophenolic adenine dinucleotideC2-mycophenolic adenine dinucleotide: structure in first source
(+)-usnic acidusnic acid
shikoninshikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activitieshydroxy-1,4-naphthoquinone
8-prenylnaringenin8-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
kazinol bkazinol B: a natural isoprenylated flavan
pallidolpallidol : A tetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.

pallidol: isolated from Ciccus pallida; structure in first source
carbopolycyclic compound;
polyphenol;
stilbenoid
antifungal agent;
antioxidant;
plant metabolite
pnu183792PNU183792: structure in first source
4-phenyl-4-oxo-2-hydroxybuten-2-oic acid2,4-dioxo-4-phenylbutanoic acid: structure in first source
riboflavinvitamin 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
bms-337197BMS-337197: structure in first source
8-isopentenylnaringenin8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first sourceflavanones
isoxanthohumolisoxanthohumol: structure in first sourceflavanones
1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamideindolecarboxamideanticoronaviral agent
2-furancarboxylic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester2-furoate ester;
pyranopyrazole
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first sourcearomatic ether
2-(2-phenoxyethylsulfonyl)-1H-benzimidazolebenzimidazoles;
sulfoxide
Tetrahydropiperinebenzodioxoles
2-[[(6-bromo-1H-benzimidazol-2-yl)thio]methyl]-1-methylbenzimidazolebenzimidazoles
tolfenamic acidtolfenamic 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
2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-oneorganofluorine compound
1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidinearyl sulfide
tenatoprazoleTenatoprazole: structure in first sourceimidazopyridine
boswellic acid
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
trans-4-coumaric acid4-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 acidfood component;
mouse metabolite;
plant metabolite
geraniol3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol
allergen;
fragrance;
plant metabolite;
volatile oil component
chalconetrans-chalcone : The trans-isomer of chalcone.chalconeEC 3.2.1.1 (alpha-amylase) inhibitor
sinapinic acidsinapinic acid: a matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis

trans-sinapic acid : A sinapic acid in which the double bond has trans-configuration.
sinapic acidMALDI matrix material;
plant metabolite
piplartinepiplartine: Antineoplastic Agent, Phytogenic; alkaloid from Piper; structure in first sourcecinnamamides;
dicarboximide
7-methoxyisoflavone7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7.7-methoxyisoflavones
retinaldehydeall-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
piperinepiperine : 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
phenyl-n-tert-butylnitronephenyl-N-tert-butylnitrone: a spin-trapping agent
propolin cnymphaeol A : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.

propolin C: a PAK1 inhibitor; from Taiwanese propolis; structure in first source
4'-hydroxyflavanones;
tetrahydroxyflavanone
metabolite;
radical scavenger
xanthohumolxanthohumol : 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
ilepcimideilepcimide: structure given in first source; RN given refers to compound with no isomeric designationbenzodioxoles
4'-methoxychalcone4'-methoxychalcone: RN given refers to compound with no isomeric designationchalcones
nerolnerol : 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-olfragrance;
plant metabolite;
volatile oil component
cannabidiolcannabidiol : 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
gw96622-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand bindingbenzamides
cgp 60474substituted aniline
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
3-(4-pyridyl)-1h-indole3-(4-pyridyl)-1H-indole: structure in first sourceindoles
N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamideanilide
3-[[2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl esteramidobenzoic acid
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamideorganonitrogen compound;
organooxygen compound
3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1H-quinolin-2-onequinolines
3-[[1,3-benzodioxol-5-ylmethyl-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-onequinolines
2-phenoxy-N-(2-pyridinyl)butanamidearomatic ether
1-(2-furanyl)-N-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]methyl]-N-(thiophen-2-ylmethyl)methanaminesulfonic acid derivative
LSM-19079benzimidazoles
3-amino-N-cyclopentyl-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamidethienopyridine
2-[[4-(3-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acidtriazoles
N-(3H-benzimidazol-5-yl)-2-furancarboxamidebenzimidazoles
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanonepiperazines
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl esterbenzimidazoles
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamidetetrazoles
2-[[2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamidearomatic amide;
thiophenes
2-(6-cyano-1-indolyl)-N-cyclohexylacetamideindoles
3-chloro-1-cyclohexyl-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dionemaleimides;
piperazines
6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinolinequinolines
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamidearomatic amide;
furans
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrilemethoxybenzenes;
pyranopyrazole
3-amino-5-methoxy-2-benzofurancarboxylic acid methyl esterbenzofurans
7,8-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-phenyl-3H-1,5-benzodiazepin-2-onebenzodiazepine
4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-cyclohexyl-2-furancarboxamideorganonitrogen compound;
organooxygen compound
5-(diethylsulfamoyl)-3-hydroxy-2-naphthalenecarboxylic acidnaphthalenes;
sulfonic acid derivative
N-[4-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetamidepiperazines
N,N-dimethyl-6-phenyl-3-pyridazinaminepyridazines;
ring assembly
3-[[1,3-benzodioxol-5-ylmethyl-[(1-cyclopentyl-5-tetrazolyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-onequinolines
1-(1-adamantyl)-3-[8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]ureatropane alkaloid
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methoxyanilino)-N-(2-methylbutan-2-yl)-2-(1-methyl-2-pyrrolyl)acetamideorganonitrogen compound;
organooxygen compound
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)acetamidesulfonamide
1-(4-chlorophenyl)sulfonyl-N-[3-methoxy-4-(1-tetrazolyl)phenyl]-4-piperidinecarboxamidetetrazoles
2-[(5-amino-1-phenacyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamidearomatic ketone
3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-onequinolines
N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamidesulfonamide
N-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamidesulfonamide
4-[4-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]-(3-pyridinyl)methyl]-1-piperazinyl]phenolpiperazines
8-[(1-cyclohexyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-olazabicycloalkane
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanonecycloheptafuran
N-(1,3-benzothiazol-2-yl)-N-methylbenzamidebenzothiazoles
6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-onequinolines
4-[2-[1-(4-methoxyphenyl)sulfonyl-2-benzimidazolyl]ethyl]morpholinesulfonamide
5-(2-furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazolephenylpyridine
6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-onequinolines
3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-onequinolines
N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamidequinazolines
5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolaminebenzodioxoles
N-[2-(3-acetamidophenyl)-3H-benzimidazol-5-yl]acetamidebenzimidazoles
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-aminedialkylarylamine;
tertiary amino compound
3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-onequinolines
2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(3-methoxyphenyl)thiazoleN-arylpiperazine
N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2-furancarboxamidearomatic amide;
furans
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]ureaquinolines
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-fluorophenyl)-N-(3-pyridinyl)butanediamideorganonitrogen compound;
organooxygen compound
1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinolinequinolines
N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4-triazolecarboxamidebenzodioxoles
2-[(3-ethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamidequinolines
N-tert-butyl-2-(2-furanyl)-2-[[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]-(thiophen-2-ylmethyl)amino]acetamideorganonitrogen compound;
organooxygen compound
2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamidebenzothiazoles
[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanonepiperazines;
pyridines
N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamideamidobenzoic acid
2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazoleN-arylpiperazine
1-(3,5-dimethyl-1-pyrazolyl)-3-[2-(4-methoxyphenyl)-1-indolyl]-2-propanolphenylindole
1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazinepiperazines
6,7-dimethoxy-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrilepiperazines
N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamideamidobenzoic acid
N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamideimidazopyridine
N-(3-dibenzofuranyl)-4-morpholinecarboxamidedibenzofurans
2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(1-tetrazolyl)benzenesulfonamidetetrazoles
6-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-1H-benzimidazolebenzodioxine
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamidearomatic amide;
furans
4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamideanilide
6,6-dimethyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amineorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]ureaquinolines
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrilenitrile;
pyridines
4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamidequinolines
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-onequinolines
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamidearomatic ether
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamidebenzimidazoles
2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazolemethoxybenzenes
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethylphenyl)-N-(2-pyridinyl)pentanediamideorganonitrogen compound;
organooxygen compound
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamidetriazoles
3-(2-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]ureaquinolines
2-[4-(benzenesulfonyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazolesulfonamide
3-[(2-fluorophenyl)methyl]-5-propyl-N-(pyridin-4-ylmethyl)-7-triazolo[4,5-d]pyrimidinaminetriazolopyrimidines
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-oxolanylmethyl)-2-thiazolamineindoles
1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanonepiperazines
8-[(1-tert-butyl-5-tetrazolyl)-thiomorpholin-4-ylmethyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-onequinolines
1-[1-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-2-methylpropyl]-4-phenylpiperazinepiperazines
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)ureaquinolines
2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide1,3-oxazoles
2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanolpyrazoles;
ring assembly
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridinearomatic ether
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamidebenzothiazoles
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamidetriazoles
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanonepiperazines
2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl esterpyrazoles;
ring assembly
[4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamidepiperazines
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methanonecarbazoles
1-[1-[[1-[(4-methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazolebenzotriazoles
[4-[2-(3-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamidebenzodioxine
N-(1,3-benzodioxol-5-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-pyrazinecarboxamideorganonitrogen compound;
organooxygen compound
LSM-34623pyrazoles;
ring assembly
LSM-34679triazolopyrimidines
4-methyl-N-(2-methyl-5-tetrazolyl)benzamidebenzamides
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamidearomatic amide;
furans
2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(2-furanylmethyl)acetamidequinolines
3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-onequinolines
1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yl-5-tetrazolyl)methyl]piperazinepiperazines
N,N-diethyl-2-[(3-thiophen-2-yl-7-isothiazolo[4,5-d]pyrimidinyl)thio]acetamidearyl sulfide
3-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]-8-methyl-1H-quinolin-2-onequinolines
8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dioneoxopurine
N-(2-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamidepiperidines
2-(2-cyanophenoxy)-N-[2-[cyclopropyl(oxo)methyl]-3-benzofuranyl]acetamidebenzofurans
3-[[1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-onequinolines
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenylureaquinolines
N-[2-[1,3-benzodioxol-5-yl-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-furancarboxamidepeptide
N-(2-furanylmethyl)-N-[(7-methyl-4-tetrazolo[1,5-a]quinolinyl)methyl]-2-phenoxyacetamidequinolines
9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamidearomatic amide;
quinolines
2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanonepyridazines;
ring assembly
2-[5-(3,4-diethoxyphenyl)-2-tetrazolyl]-N-(3-methoxyphenyl)acetamidetetrazoles
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrilearomatic ether;
pyranopyrazole
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-furancarboxamidearomatic amide;
furans
2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl esterpyrazoles;
ring assembly
5-[(2-fluoroanilino)methyl]-8-quinolinolhydroxyquinoline
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamidequinolines
benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] esterbenzoate ester
2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[2-(4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]-2-furancarboxamidepeptide
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamideorganonitrogen compound;
organooxygen compound
N-[4-(diethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamidesulfonamide
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanonearomatic ether
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acidcarboxylic acid;
piperidines
N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamideanilide
3-[[4-(1-benzotriazolyl)-1-piperidinyl]sulfonyl]-N-cyclopentylbenzenesulfonamidesulfonamide
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamideimidazoles
N,N-dimethyl-4-[[4-(5-methyl-1-benzotriazolyl)-1-piperidinyl]sulfonyl]benzamidesulfonamide
2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazoleN-arylpiperazine
2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl esteraryl sulfide
cefsulodincefsulodin : 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
cocaine hydrochloridecocaine 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.hydrochloridecentral nervous system stimulant;
local anaesthetic
isopropyl thiogalactosideisopropyl 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
tiamulintiamulin : 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
cyclic nucleotide phosphodiesterases, type 4
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
propylthiouracil6-propyl-2-thiouracil : A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.

Propylthiouracil: A thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534)
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4h-chromene2-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-dioxidebenzothiazine
2-amino-1-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamidequinoxaline derivative
5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and pyrrolidin-1-yl groups, respectively.pyridines;
pyrrolidines;
quinazolines
2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]benzamideamidobenzoic acid
3,4,5-trimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamidesulfonamide
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
LSM-27020quinoxaline derivative
2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanoneN-acylpiperazine
4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl esterbenzofurans
2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] esteralpha-amino acid ester
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamidepyridopyrimidine
2-(butan-2-ylamino)-N-[4-[5-[[2-(butan-2-ylamino)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamideamino acid amide
2-(butylamino)-N-[4-[5-[[2-(butylamino)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamideamino acid amide
5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidinedimethoxybenzene
2-[5-[(2-chlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridinetriazoles
4-(2-furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-onepyrrolopyrazole
6-(4-methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoletriazolothiadiazole
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidineN-arylpiperazine
8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dioneoxopurine
2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dionetriazoles
4-(1H-benzimidazol-2-ylmethylthio)-2-methylbenzofuro[3,2-d]pyrimidinebenzimidazoles
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl esterleucine derivative
3-methoxy-2-(3-pyridinylmethylthio)-4-quinazolinonequinazolines
N-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxyacetamidetriazolopyrimidines
1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinaminequinoxaline derivative
3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dionearomatic ketone
3-phenyl-1H-cinnolin-4-onepyridazines;
ring assembly
3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl esterindolyl carboxylic acid
9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-onepyridopyrimidine
(3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dionepyrrolidines
N-(4-chlorophenyl)-2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamidetriazolopyrimidines
3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanolorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
LSM-32568N-arylpiperazine
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamideoxadiazole;
ring assembly
2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenylacetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamidearomatic amide;
heteroarene
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamideoxadiazole;
ring assembly
1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamideorganonitrogen compound;
organooxygen compound
3-[(3aR,6aS)-6'-chloro-5-(4-chlorophenyl)-7'-methyl-2',4,6-trioxo-1-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]yl]propanamideamino acid amide
7-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-oneN-arylpiperazine
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamidebenzimidazoles
4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl esteramidobenzoic acid
7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dionepiperazines
5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamidepyrimidines
3-(1-benzotriazolylmethyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzotriazoles;
triazolothiadiazole
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamidearomatic amide;
furans
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoletriazolothiadiazole
2-amino-4-(3-chlorophenyl)-6-(2-furanylmethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl esterpyranopyridine
6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrilepyrazoles;
ring assembly
6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diaminebenzodioxoles
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazin-2-aminepiperazines
3-(1-benzimidazolylmethyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzimidazoles;
triazolothiadiazole
2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazoletriazoles
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzodioxine;
triazolothiadiazole
dienestroldienestrol : 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.
mercaptopurinemercaptopurine : 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
dexketoprofendexketoprofen : A monocarboxylic acid that is (S)-hydratropic acid substituted at position 3 on the phenyl ring by a benzoyl group. A cyclooxygenase inhibitor, it is used to relieve short-term pain, such as muscular pain, dental pain and dysmenorrhoea.benzophenones;
monocarboxylic acid
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
sb 366791N-(3-methoxyphenyl)-4-chlorocinnamanilide: a TRPV1 antagonist; structure in first source
3,3',4,5'-tetrahydroxystilbene3,3',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-methoxy-N-(5-methyl-3-isoxazolyl)benzamidebenzamides
2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamidecarbonyl compound;
organohalogen compound
1-(4-amino-2-methyl-3-quinolinyl)ethanoneaminoquinoline
2-[[2-furanyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl esterorganosulfur heterocyclic compound
N-[4-(diethylamino)phenyl]-2-furancarboxamidearomatic amide;
furans
N-(2-furanylmethyl)-2-benzofurancarboxamidebenzofurans
1-methyltryptophan1-methyltryptophan : A tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole.

1-methyltryptophan: an immunomodulator
indolyl carboxylic acid
7,8,3'-trihydroxyflavone7,8,3'-trihydroxyflavone: a potent small molecule TrkB receptor agonist that protects spiral ganglion neurons from degeneration both in vitro and in vivo
phenylthioureaN-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.
thioureasEC 1.14.18.1 (tyrosinase) inhibitor
4-methyl-N-[4-(4-morpholinyl)phenyl]benzamidebenzamides
(e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide3-(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-202676SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-aminebenzothiazoles
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).sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-oneether;
flavonoids
3,4'-dihydroxyflavone3,4'-dihydroxyflavone: an antioxidant; structure in first source
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1-benzopyran-4-oneflavones
7,8,4'-trihydroxyflavone
7-(diethylamino)-2-oxo-1-benzopyran-3-carbonitrilecoumarins
6-methylflavone6-methylflavone: structure in first source
caffeic acidtrans-caffeic acid : The trans-isomer of caffeic acid.caffeic acidgeroprotector;
mouse metabolite
2-methoxy-N-(2-pyridinyl)benzamidebenzamides
1-(4-Methoxyphenyl)-2-nitroethylene4-methoxy-beta-nitrostyrene: has vasodilator activity; structure in first sourcemethoxybenzenes
captax1,3-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
5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thionemethoxybenzenes
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamidebenzodioxine
rg108RG108: DNA methyltransferase inhibitor; structure in first sourceindolyl carboxylic acid
1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl esterbenzodioxoles
ceefourin 1ceefourin 1: inhibits multidrug resistance protein 4; structure in first source
4-(3-chlorophenyl)thiosemicarbazide4-(3-chlorophenyl)thiosemicarbazide: structure given in first source
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamidequinazolines
1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanonearomatic ketone
N-(5-methyl-3-isoxazolyl)-1,3-benzodioxole-5-carboxamidebenzodioxoles
N-(2-chlorophenyl)hydrazine-1-carbothioamideorganochlorine compound
vu0038882VU0038882: structure in first source
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamidebenzamides
N-(4-methoxyphenyl)-2-benzofurancarboxamidearomatic amide;
furans
6-amino-5-(methylamino)-1-(phenylmethyl)pyrimidine-2,4-dionepyrimidone
spiro[1,3-dihydroperimidine-2,1'-cycloheptane]naphthalenes
4,5-dimethylaminobenzylidene-2-thiobarbituric acid
2-(1-piperidinylmethyl)phenol2-(1-piperidinylmethyl)phenol: structure in first source
5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl esterpyrazolopyridine
1-cyclohexyl-3-(2-phenylethyl)ureabenzenes
2-[[3-[(2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenolaralkylamine
nsc185058NSC185058: an ATG4B antagonist
2-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazolearyl sulfide
N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamideimidazoles
N'-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbohydrazidecarbonyl compound;
organohalogen compound
N-(3,4-dimethoxyphenyl)-4-methoxybenzamidebenzamides
cid755673CID755673: a potent and selective inhibitor of protein kinase D; structure in first sourcebenzofurans
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazoleorganofluorine compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamidenaphthalenecarboxamide
2-[[2-(5,6-dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl esteramidobenzoic acid
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamidearomatic amide;
furans
1-(4,5-dihydrothiazol-2-yl)-3-phenylureaureas
4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamidebenzimidazoles
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazolearyl sulfide
2-hydroxy-5-[[(5-methyl-2-furanyl)-oxomethyl]amino]benzoic acidaromatic amide;
furans
2-bromo-N-(3-methoxyphenyl)benzamidebenzamides
N-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamidenaphthalenes
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinonequinolines
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanonestilbenoid
5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamidearomatic amide;
furans
3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazolenaphthalenes;
sulfonic acid derivative
6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-aminebenzoxazole
2-phenyl-3-imidazo[1,2-a]pyridinecarboxaldehydeimidazoles
2-methyl-N-(2-naphthalenyl)-3-furancarboxamidenaphthalenes
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)benzimidazoles
2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl esteraromatic amine;
isopropyl ester;
tertiary carboxamide;
thiophenes
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamidebenzodioxoles
1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thioureamethoxybenzenes;
substituted aniline
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)ureabenzodioxine
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamideindoles
2-[(2-chlorophenoxy)methyl]benzoic acidbenzoic acids
5-(4-propan-2-ylphenyl)-2H-tetrazoletetrazoles
4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl esterbenzoate ester
N-(1,3-benzodioxol-5-yl)-4-(4-morpholinylmethyl)benzamidebenzodioxoles
3-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl esterpyrroles
lupitidine
N-[3-[(1,3-dioxo-5-isoindolyl)oxy]phenyl]-2-furancarboxamidearomatic amide;
furans
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamidesulfonamide
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamidearomatic amide
3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazoleoxadiazole;
ring assembly
CHIC-35CHIC-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
N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamidenaphthalenecarboxamide
N2-(4-fluorophenyl)-6-(3-methyl-2-benzofuranyl)-1,3,5-triazine-2,4-diaminebenzofurans
flunarizineFlunarizine: 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
curcumincurcumin : 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
4-(2-naphthalenyloxymethyl)-2-thiazolaminenaphthalenes
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamidearomatic amide
N-(2-hydroxy-5-methoxy-1H-indol-3-yl)acetamidehydroxyindoles
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamidesulfonamide
umi-77UMI-77: an Mcl-1 inhibitor; structure in first source
2-(3-pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazolesulfonamide
3-(n-benzylsulfamoyl)-4-bromo-n-(4-bromophenyl)benzamide3-(N-benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide: stimulates RAD51 DNA-binding activity to promote cancer cell death; structure in first source
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamideN-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source
pyridine-2-carboxylic acid thiazol-2-ylamidepyridine-2-carboxylic acid thiazol-2-ylamide: structure in first source
4-[[[2,3-bis(2-pyridinyl)-6-quinoxalinyl]amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl esterquinoxaline derivative
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-(4-methyl-2-thiazolyl)acetamidemethoxybenzenes
1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ureaureas
4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl esterbenzamides
5-(3,4-dimethoxyphenyl)-2-phenyl-4-thieno[2,3-d][1,3]oxazinonedimethoxybenzene
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamidebenzimidazoles
N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]propanamidepiperazines
5-(4-methylphenyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
N-(2-furanylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamidepyrimidines
[4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanonediarylmethane
hc 0300312-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide: a TRPA1 channel blocker
eggmanoneeggmanone: a phosphodiesterase-4 inhibitor; structure in first source
iwr-1 exoIWR-1-exo : A dicarboximide having an exo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1-endo.bridged compound;
dicarboximide
axin stabilizer
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinolinepiperazines;
pyridines
2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitriledimethoxybenzene
N-(2-furanylmethyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
benztropinebenzatropine : 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
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazinepiperazines
3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone3-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 respectivelybromophenol;
nitrile;
pyridone
7-anilino-1-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl estertriazoles
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamidearomatic amide;
thiophenes
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamideorganosulfur heterocyclic compound
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamidepyridinecarboxamide
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamidemethoxybenzenes
[4-(2-methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanonepiperazines
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanoneazaspiro compound
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinecarboxamidepyridinecarboxamide
5-[[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazoletriazoles
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamideanilide
1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamidesulfonamide
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamidesulfonamide
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamidepiperazines
thiohydantoinsThiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups.
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamidearomatic ether
3-phenyl-5-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazoleoxadiazole;
ring assembly
2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamidethioureas
2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl esteramidobenzoic acid
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamidearomatic amide
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamidebenzothiazoles
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamidearomatic ether
2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-N-(2-furanylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamidephthalimides
2-imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-1-(3-pyridinylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamidepyridopyrimidine
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamidesulfonamide
[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-methyl-1-piperazinyl)methanonebenzamides
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl esterpiperazines
darunavir ethanolatephenothiazines
4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl esterbenzoate ester
3-(1-azepanylsulfonyl)-n-(3-bromphenyl)benzamide3-(1-azepanylsulfonyl)-N-(3-bromphenyl)benzamide: a sirtuin 2 inhibitor; structure in first source
2-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl esterbarbiturates
N-[3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamidearomatic amide;
furans
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(2-methoxyphenyl)acetamideacetamides
methimazolemethimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.

Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.
1,3-dihydroimidazole-2-thionesantithyroid drug
4-(dimethylsulfamoyl)-N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamideisoindoles
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamidebenzamides
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazinepiperazines
2-[[3-(3,4-dimethoxyphenyl)-2-oxo-1-benzopyran-7-yl]oxy]acetamideisoflavonoid
urb 597cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester: a fatty acid amide hydrolase inhibitor; structure in first sourcebiphenyls
3-amino-8-methyl-N-[4-(4-morpholinyl)phenyl]-2-thieno[2,3-b]quinolinecarboxamidearomatic amide
N-(2,3-dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamideindanes
Src Inhibitor-1Src 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
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrilearomatic ether
6-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-onebenzothiazoles
cinnarizineCinnarizine: 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-onechromones
sulindacsulindac : 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-resveratrolcis-resveratrol : The cis-stereoisomer of resveratrol.resveratrol
zucapsaicinmethoxybenzenes;
phenols
capsaicinALGRX-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.
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
enclomipheneEnclomiphene: The trans or (E)-isomer of clomiphene.
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-amineantidepressant;
serotonin uptake inhibitor
terbinafineacetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
geranyl acetategeranyl 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
1,4-benzoquinone guanylhydrazone thiosemicarbazone1,4-benzoquinone guanylhydrazone thiosemicarbazone: structure given in first source
1-phenyl-2-nitropropene1-phenyl-2-nitropropene: RN given refers to cpd without isomeric designation
auraptenaurapten: 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
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanonearomatic ether
4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl esterpyrimidinecarboxylic acid
2-chloro-N-heptyl-N-(3-methylphenyl)acetamideanilide
chlorogenic acidcaffeoylquinic 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
zln024ZLN024: an AMP-activated protein kinase activator; structure in first source
5-bromo-N-(2-fluorophenyl)-6-oxo-3-pyrancarboxamidearomatic amide
CAY10591CAY10591: a SIRT1 NAD-dependent histone deacetylase activatorquinoxaline derivative
N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamidecarbazoles
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
1-[(3,4-dichlorophenyl)methyl]indole-2,3-dioneindoles
2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl esteramidobenzoic acid
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamidesulfonamide
5-chloro-1h-benzimidazole-2-thiol5-chloro-1H-benzimidazole-2-thiol: trypanocidal
benzotriptbenzotript: anti-gastrinic; active group is amide; structure
N-(9-ethyl-3-carbazolyl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetamidecarbazoles
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamideacetamides;
anilide
7-[[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinonearyl sulfide
3-methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] esterbenzofurans
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamidearomatic ether
4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] esterbenzothiazoles
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamidering assembly;
thiophenes
1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethanonesulfonamide
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] esteraromatic carboxylic acid;
pyridines
1-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanonebenzoylpyrazole
2-[[2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamidearomatic amide;
thiophenes
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-aminedicarboximide;
heterocyclic compound
3-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-onebenzotriazines
6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-onebenzoxazine
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamidemorpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound
2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl esteraromatic amide;
furans;
isopropyl ester
2-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl esterbenzamides
1-[2-[(2-methylphenyl)methylthio]ethyl]-3-phenylthioureathioureas
N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamidedibenzofurans
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamidearomatic amide;
furans
4-methyl-N-[2-(phenylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamidesulfonamide
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolaminearomatic ether
2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl esterring assembly;
thiophenes
N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamideindoles
N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamidearomatic amide;
furans
2-(3,5-dimethylphenoxy)-N-[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamideanilide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamidedibenzofurans
N-(3-acetylphenyl)-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxamidearomatic amide
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)methanonepyrimidines
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanonebenzodioxine
2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol: apoptosis-inducing agent that down-regulates Bcl-XL in cancer cells; structure in first sourcedichlorobenzene
2-(2,4-dichloro-6-methylphenoxy)-N-(2-furanylmethyl)acetamidedichlorobenzene
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamidemorpholines
2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-onesulfonamide
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source
LSM-19724naphthalenes;
sulfonic acid derivative
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamidepyrazoles;
ring assembly
2,8-dimercapto-6-hydroxypurine
4-amino-2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]isoindole-1,3-dionephthalimides
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamidepyrazoles;
ring assembly
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-aminepyrazolopyrimidine
[2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanoneN-arylpiperazine
3-[5-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1,3,4-oxadiazol-2-yl]-1-benzopyran-2-onepyrroles
[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanonesulfonamide
N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamideanilide
2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazoletriazoles
5-[2-[[2-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl esteraromatic amide;
furans
1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] esterbenzothiazoles
2-(1,3-benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazolebenzodioxoles
2-[[[2-[(5-methoxycarbonyl-2-furanyl)methoxy]-2-oxoethyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
4-(4-methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidineorganonitrogen heterocyclic compound;
thienopyrimidine
4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanoneindoles
1-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazoletriazolobenzothiazole
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamidebenzamides
thioguanine anhydrousThioguanine: 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-aminopurinesanticoronaviral 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
digoxindigoxin : 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
2,4-Di(3-pyridyl)-1,3-thiazolethiazoles
capsazepinecapsazepine : 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
n(6)-(1-iminoethyl)lysineN(6)-acetimidoyl-L-lysine : An L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by an acetimidoyl groupL-lysine derivative;
non-proteinogenic L-alpha-amino acid
tamoxifen citratecitrate saltangiogenesis inhibitor;
anticoronaviral agent
tamoxifenstilbenoid;
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
tetraoctylammonium bromidetetraoctylammonium bromide: a phase transfer reagent
hc-067047HC-067047: a TRPA1 antagonist; structure in first source
2-(4-chlorophenyl)guanidineorganochlorine compound
N1-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamidetetralins
1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thioureathioureas
5-(methoxymethyl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-onepyrazolopyrimidine
2,4-diaziran-1-yl-6-(1-phenyl-1H-pyrrol-2-yl)-1,3,5-triazinepyrroles
N'-benzoyl-2-(3-pyridinyl)-4-thiazolecarbohydrazidebenzoic acids
sirtinolaldimine;
benzamides;
naphthols
anti-inflammatory agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Sir2 inhibitor
methyl-thiohydantoin-tryptophanmethyl-thiohydantoin-tryptophan: structure in first sourceorganonitrogen compound;
organooxygen compound
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrilearomatic ether;
C-nitro compound
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrilemethoxybenzenes
2-amino-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrilemethoxybenzenes
1-hexadecyl-3-methylimidazolium bromide1-hexadecyl-3-methylimidazolium bromide: structure in first source
4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalinepyrroline
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanolmethoxybenzenes
alanyl-alanyl-alanyl-alanine, (d-ala-l-ala-l-ala-l-ala)-isomeraromatic amide;
furans
1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanolphenothiazines
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 sourcebenzimidazoles
6-amino-4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrilepiperazines;
pyranopyrazole
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamidebenzamides
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzeneBRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).C-nitro compound;
sulfonamide;
toluenes
bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector
1-(2-furanylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dionetoluenes
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)thio]-N-cyclohexylacetamidetetrahydropyridine
N-[4-[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]phenyl]-2-furancarboxamidearomatic amide;
furans
N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamidesulfonamide
3-hydroxy-3-[2-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]-1H-indol-2-onearomatic ketone
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamideorganonitrogen compound;
organooxygen compound
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamidebenzamides
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxybutanamideanilide
N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamidebenzamides
3-[2-(2,4-dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indoloneindoles
N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamidepiperazines
3-fluoro-N-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamidepiperazines
1-[2-(hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanolindoles
1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)ureapiperazines
9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamidebenzenes
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamidearomatic amide;
thiophenes
6-(2-chlorophenyl)-3-methyl-2-[4-morpholinyl(oxo)methyl]-1,5,6,7-tetrahydroindol-4-oneindoles
N-[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(4-chlorophenyl)acetamidepiperazines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamidebenzodioxine
4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl esterbenzodioxoles
2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl esterpyrimidines
1-[2-furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolonenaphthalenes;
sulfonic acid derivative
2-[[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-1,3,4-oxadiazoletriazoles
3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamidebenzimidazoles
nsc 727447NSC 727447: structure in first source
7-[[[1-(3-methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinonebenzimidazoles
2-(4-cyanophenoxy)-N-(2-methyl-1-phenyl-5-benzimidazolyl)acetamidebenzimidazoles
1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]ethanonesulfonamide
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamidebenzothiazoles
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-3-pyridinesulfonamidepyridines;
sulfonamide
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamidebenzothiazoles
2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dionephthalimides
1-butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamidephthalimides
3-(2,5-dimethyl-3-furanyl)-5,6-diphenyl-1,2,4-triazine1,2,4-triazines
2-benzoyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamideisoquinolines
1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) esterpyrazoles;
ring assembly
7-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-onepiperazines
3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] esterpiperazines
1-butyl-2-[(5-phenyl-2-oxazolyl)methylthio]-5-benzimidazolesulfonamide1,3-oxazoles
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)oxy]-N-methyl-N-phenylacetamideanilide
3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] esterphthalazines
6-methyl-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl esteramino acid amide
2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) esterquinolines
3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] esterbenzoate ester
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamideamphetamines
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dionepyrroles
4-phenyl-3H-thiazole-2-thionebenzenes
estrone sulfateestrone sulfate: sulfoconjugated estrone; RN given refers to parent cpd17-oxo steroid;
steroid sulfate
human metabolite;
mouse metabolite
hmr 3647
u 0126U 0126: protein kinase kinase inhibitor; structure in first sourcearyl sulfide;
dinitrile;
enamine;
substituted aniline
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
l 783281L 783281: structure in first source
zephiran
Avocadynelong-chain fatty alcohol
4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2h)-pyridazinone4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone: RN & structure given in first source
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholinearomatic ether
tetomilast
lomeguatrib
6-methyl-2-(phenylethynyl)pyridine2-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 387032N-(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
racloprideRaclopride: A substituted benzamide that has antipsychotic properties. It is a dopamine D2 receptor (see RECEPTORS, DOPAMINE D2) antagonist.salicylamides
zuclomifene citrate
orlistatorlistat : 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
idoxifeneidoxifene: structure given in first sourcestilbenoid
brassinindithiocarbamic ester;
indole phytoalexin
e 7010E 7010: inhibits tubulin polymerization; structure given in first sourcesulfonamide
triptoreliniodophenpropit: structure given in first sourceorganoiodine compound
win 33377WIN 33377: structure in first source
sf 2370K-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
phorbol 12-phenylacetate 13-acetate 20-homovanillatephorbol 12-phenylacetate 13-acetate 20-homovanillate: behavior contrasts with resiniferatoxin and capsaicin in the lack of cooperativity in binding vanilloid (capsaicin) receptor
thioperamidethioperamide: structure given in first source; histamine H3 receptor antagonistprimary aliphatic amine
u-504883,4-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
sch 23390SCH 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
lamifibanlamifiban: a nonpeptide glycoprotein IIb/IIIa antagonist; prevents platelet loss during experimental cardiopulmonary bypassN-acylglycine
bp 897BP 897: a dopamine D3 receptor agonist; structure in first sourcenaphthalenecarboxamide
tandutinibaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine
anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
3-deoxyvasicine, hydrochloride
5-hydroxydiclofenac5-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
deracoxibderacoxib : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3, and 5 by 4-sulfamoylphenyl, difluoromethyl and 3-fluoro-4-methoxyphenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs.

SC 046: structure in first source
organofluorine compound;
pyrazoles;
sulfonamide
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dasatinibdasatinib (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 1100HA 1100: intracellular calcium antagonist
7-epi-hydroxystaurosporine
erysolin
oxalylglycineN-oxalylglycine : An amino dicarboxylic acid that is iminodiacetic acid with an oxo substituent. It is used as an inhibitor of alpha-ketoglutarate dependent (EC 1.14.11.*) enzymes.

oxalylglycine: structure given in first source
amino dicarboxylic acid;
N-acylglycine
EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor
atractylonatractylon: from Atractylodes rhizomes; has antihepatotoxic activity; structure given in first sourcesesquiterpenoid
arginyl-glycyl-aspartyl-phenylalanine
acetyl-arginyl-glycyl-aspartyl-serinamide
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
desmethylanethol trithionedesmethylanethol trithione: metabolite of anethol trithione; structure given in first source
wogonosidewogonin 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
silybin
2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl esterindoles
4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolinequinolines
4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolinequinolines
1-[4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanonequinolines
N-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamidesalicylamides
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidinemethoxybenzenes
2-imino-1-[(4-methylphenyl)methyl]-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine
6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile(trifluoromethyl)benzenes
2-(3-ethoxypropylamino)-8-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-pyrimidinecarboxamidepyridopyrimidine
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinaminequinazolines
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinaminequinazolines
6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinaminequinazolines
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinaminequinazolines
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinaminequinazolines
6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinaminequinazolines
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
nih-12848NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinaminequinazolines
N-[(3-methylphenyl)methyl]-6-(3-pyridinyl)-4-quinazolinaminequinazolines
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinaminebenzodioxoles
2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl estermethoxybenzenes
4-[butan-2-yl-[(3,4-dichloroanilino)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl esterureas
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl esterquinolines
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamidetriazoles
3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-oneN-acylpiperidine
N-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-2-(1-oxo-2-isoquinolinyl)acetamidepiperazines
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanonenaphthalenes
6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-onepiperazines;
pyridines
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamideoxadiazole;
ring assembly
2-[8-[[bis(phenylmethyl)amino]methyl]-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl esteralpha-amino acid ester
2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamideN-acyl-amino acid
N-(3-chlorophenyl)-2-[6,7-dimethoxy-2,4-dioxo-3-(2-oxolanylmethyl)-1-quinazolinyl]acetamidequinazolines
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl estercarboxylic acid;
piperidines
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamidequinolines
4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] esterpyranopyrazole;
ring assembly
N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamidearomatic amide;
furans
6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dionepiperazines
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]acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamideindanes
1-(2-methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazolebenzimidazoles
5-[(4-fluorophenyl)methylsulfonylmethyl]-N-(2-oxolanylmethyl)-2-furancarboxamidearomatic amide;
heteroarene
4-hydroxy-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) esterpeptide
3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanonequinolines
N-(5-chloro-2-methoxyphenyl)-2,4-dimethyl-5-oxazolecarboxamidearomatic amide
1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acidpyrazoles;
ring assembly
1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide1-benzopyran
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide1,3-oxazoles
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamidethiazoles
N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamideN-acyl-amino acid
4-(3,4-dimethoxyphenyl)-2-(1-piperidinyl)-6-(trifluoromethyl)pyrimidinepyrimidines
N-(3-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamidearomatic amide;
furans
4-[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-1-piperidinecarboxylic acid ethyl esterphenylalanine derivative
4-[2-[[2-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl esterbenzodioxoles
2-(2,4-dimethoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-quinolinecarboxamidequinolines
1-[4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazinyl]-2-[[3-(4-morpholinyl)-2-quinoxalinyl]thio]ethanonequinoxaline derivative
2-[(5-bromo-2-thiophenyl)sulfonyl-methylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamideorganonitrogen compound;
organooxygen compound
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamidemethoxybenzenes
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanonebenzothiadiazole
N-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamidepiperazines
2-(4-ethoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acidpyrazoles;
ring assembly
3-methyl-N,6-diphenyl-2-imidazo[2,1-b]thiazolecarboxamidearomatic amide
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamidebenzothiadiazole
2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-onequinazolines
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamideN-acylpiperidine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamidephthalazines
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl estercarboxylic acid;
piperidines
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamidepiperazines;
pyridines
5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamidequinolines
N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]acetamidepyridazines;
ring assembly
6-[(2-ethylphenyl)sulfamoyl]-N-(2-furanylmethyl)-4-oxo-1H-quinoline-3-carboxamidearomatic amide;
quinolines
2-[[3-oxo-2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetonitrilepiperazines
2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrilearyl sulfide
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanoneorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanonequinolines
6-[(2-ethylphenyl)sulfamoyl]-4-oxo-N-(2-oxolanylmethyl)-1H-quinoline-3-carboxamidearomatic amide;
quinolines
N-butyl-2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]acetamidequinazolines
4-(4-methyl-1-oxido-2-triazol-1-iumyl)benzoic acidtriazoles
3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-(2-thiazolyl)propanamidemethoxybenzenes
N-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-oxo-4-quinolinyl)thio]acetamidequinolines
6-(1-azepanylsulfonyl)-1-ethyl-N-(2-furanylmethyl)-4-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imidazo[1,2-a]pyrimidinyl)phenyl]-4-isoxazolecarboxamidearomatic amide
N-(1,3-benzodioxol-5-yl)-5-bromo-1-[cyclopropyl(oxo)methyl]-N-ethyl-2,3-dihydroindole-7-sulfonamidesulfonamide
N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-aminepiperazines
2-furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanoneN-arylpiperazine
N-(4-ethoxyphenyl)-2-(hydroxymethyl)benzamidebenzamides
1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-2,3-dihydroindole-7-sulfonamidebenzodioxine
6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-5-thieno[2,3-b]pyrrolecarboxylic acid methyl esteranilide
N-(3,4-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamidesulfonamide
N-(1,3-benzodioxol-5-yl)-2-[[6-methyl-4-oxo-3-(phenylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamidearomatic amide;
furans
2-(3-phenyl-1-indazolyl)acetic acid methyl esteralpha-amino acid ester
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanonepiperazines;
pyridines
2-amino-4-[4-(methylthio)phenyl]-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrilequinolines
2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acidorganic 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]acetamidepiperazines
2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl esterN-acyl-amino acid
2-(7-methyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)acetic acid methyl esteralpha-amino acid ester
N-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamidearomatic amide;
furans
N,3-diphenyl-1-pyrrolidinecarboxamidepyrrolidines
7-(2,4-dichlorophenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrilepyrimidines
N-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamidearomatic amide;
heteroarene
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamidepyrrolidines
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-4-oxo-6-(1-pyrrolidinylsulfonyl)-3-quinolinecarboxamidearomatic amide;
quinolines
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-oneimidazoles
N-butan-2-yl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamidearomatic amide;
quinolines
4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] esterdimethoxybenzene
7-[4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-onepiperazines
N-(2-furanylmethyl)-5,7-dimethyl-6-[(3-methylphenyl)methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamidepyrazolopyrimidine
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(2-furanylmethyl)-6,7-dimethoxyquinazoline-2,4-dionearomatic ketone
8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dionepiperazines
2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-onequinazolines
1-methyl-N-(2-methylcyclohexyl)-4-oxo-6-(1-pyrrolidinylsulfonyl)-3-quinolinecarboxamidearomatic amide;
quinolines
2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamideimidazoles
cyclopentanecarboxylic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] estersulfonamide
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-piperidinecarboxamidebenzodioxine
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamidearomatic amide;
heteroarene
N-[3-(cyclohexylthio)propyl]-1-[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamideN-acylpiperidine
N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamideamidobenzoic acid
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-onequinazolines
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-onequinolines
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylureaaromatic ether
cambinolcambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-onearomatic ketone
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea1-(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
rs-130830RS-130830: orally-active broad-spectrum matrix metalloproteinase inhibitor
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamidesulfonamide
4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acidpyrazoles;
ring assembly
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamidetetralins
sb-224289SB 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
gtp 14564pyrazoles;
ring assembly
gw 7647GW 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
ro 41-0960
5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinolorganochlorine compound;
quinolines
cgp 13501CGP 13501: structure in first sourcealkylbenzene
(S)-4',5,7-Trihydroxy-6-prenylflavanoneflavanones
rn 1734RN 1734: a TRPV4 antagonist; structure in first source
2,4-dihydroxyheptadec-16-enyl acetate2,4-dihydroxyheptadec-16-enyl acetate: isolated from avocado; structure in first sourcelong-chain fatty alcohol
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamideN-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide: dopamine D4 ligand; structure in first source
pd 168,077N-((4-(2-cyanophenyl)-1-piperazinyl)methyl)-3-methylbenzamide: a D4 dopamine receptor agonistpiperazines
l 6635363-[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
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazoleimidazoles
6-(5,6-Dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acidflavonoids;
glucosiduronic acid
rs 17053indoles
ro 106-9920Ro 106-9920: inhibits ubiquitination to block NF-kappaB-dependent cytokine expression; structure in first sourcesulfoxide
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidinebenzodioxine;
thienopyrimidine
3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octanediarylmethane
2,4-dihydroxyheptadec-16-ynyl acetate2,4-dihydroxyheptadec-16-ynyl acetate: isolated from avocado; structure in first sourcelong-chain fatty alcohol
(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanoneN-arylpiperazine
4-(3,5-dimethyl-1-piperidinyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamideN-acylpiperidine
2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acidsulfonamide
3,5-bis(4-methoxyphenyl)-1H-imidazole-2-thione1,3-dihydroimidazole-2-thiones
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione4-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
2-amino-3-phenylmethoxybutanedioic acidaspartic acid derivative
N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamidesulfonamide
5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl esterdepsipeptide
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamideaminoquinoline
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-dionechromones
sch 79797quinazolines
bw 723c86tryptamines
am 630iodopravadoline: an aminoalkylindole; a competitive cannabinoid receptor antagonist; structure given in first sourceN-acylindole
sc 560SC560 : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1.aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles
angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
le 300indoles
digitoxigenindigitoxigenin : A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22).

Digitoxigenin: 3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.
14beta-hydroxy steroid;
3beta-hydroxy steroid
sitagliptinsitagliptin : 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
ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoateorganic molecular entity
kurasoin bkurasoin B: protein farnesyltransferase inhibitor; isolated from Paecilomyces; structure in first source
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitorbenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2-[8-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl esteralpha-amino acid ester
tolcaponetolcapone : 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
N-[[1-(2-phenoxyethyl)-2-benzimidazolyl]methyl]anilinebenzimidazoles
jnj 77771201-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine: an H4 receptor antagonist; structure in first source
2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl esteralpha-amino acid ester
np 1188091-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one: an N-type calcium channel blocker; structure in first source
diclofenac sodiumdiclofenac 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 79302,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first sourcealkylbenzene
abt724ABT724: dopamine D4 receptors agonist; structure in first sourcepiperazines;
pyridines
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole4,4',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)benzenesulfonamidesulfonamide
1,3-dimethyl-8-(3-methyl-1-piperidinyl)-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dioneoxopurine
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
ex 5276-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
1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthioureathioureas
fosmidomycin monosodium salt
6-iodonordihydrocapsaicin6-iodonordihydrocapsaicin: a TRPV1 antagonistmethoxybenzenes;
phenols
4,5,6,7-tetrabromobenzimidazole4,5,6,7-tetrabromobenzimidazole: structure in first source
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-yleminepyrazolopyrimidinetyrosine kinase inhibitor
ncgc00099374
sib 1757SIB 1757: a selective mGluR5 antagonist; structure in first source
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-olaromatic ether
sodium butyrateorganic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
ganhuangeninganhuangenin: flavonoid from Scutellaria rehderiana; lipid peroxide antagonist
fraxetinfraxetin : A hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups.aromatic ether;
hydroxycoumarin
anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent
5,6-dehydrokawain5,6-dehydrokawain: from Alpinia speciosa rhizoma; RN given for cpd without isomeric designation; structure given in first source2-pyranones;
aromatic ether
eupatilineupatilin : 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 109N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine: has antitubercular activity
quercetin7-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
dinoprostDinoprost: 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
coniferinconiferin : A monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage.aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative
plant metabolite
biochanin a4'-methoxyisoflavones;
7-hydroxyisoflavones
antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
formononetin4'-methoxyisoflavones;
7-hydroxyisoflavones
phytoestrogen;
plant metabolite
vitexinC-glycosyl compound;
trihydroxyflavone
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
acacetin5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin.dihydroxyflavone;
monomethoxyflavone
anticonvulsant;
plant metabolite
apigeninChamomile: 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.trihydroxyflavoneantineoplastic agent;
metabolite
luteolin3'-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 acidlinoleic 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
pinosylvinpinosylvin: phytoalexin found in pine and eucalyptuspinosylvin
quercitrinalpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
scopoletinhydroxycoumarinplant growth regulator;
plant metabolite
herbacetinherbacetin : 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
daphnetinhydroxycoumarin
5'-o-caffeoylquinic acidtrans-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
gossypetingossypetin : 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
ayanin3',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
cyclosporine
bryostatin 1acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol
alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist
vitamin d 2Ergocalciferols: 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
stigmasterolstigmasta-5,22-dien-3-ol: isolated from freeze-dried powder of Blackberries (Rubus ursinus L.) which showed an activity on inhibition of chemocarcinogen

stigmasterol : A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions.
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol
plant metabolite
cholecalciferolcalciol : 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
rutinHydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone
antioxidant;
metabolite
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
alpha-linolenic acidlinolenate : 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
harmineharmine : 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 alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
montelukastmontelukast: a leukotriene D4 receptor antagonistaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
methysergide maleateergoline alkaloid
aureusidinaureusidin : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 4, 6, 3' and 4' respectively.

aureusidin: structure in first source
hydroxyauroneplant metabolite
okaninokanin : 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
sulfuretinsulfuretin: 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 phenyl1-benzofurans
cucurbitacin dcucurbitacin D : A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23.

cucurbitacin D: toxic constituent in edible gourd; see also records for cucurbitacins & specific cucurbitacins
cucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
nsc 106399cucurbitacin E : A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 1, 5 and 23.

cucurbitacin E: RN refers to (9beta,10alpha,16alpha,23E)-isomer; structure given in first source
cucurbitacin;
tertiary alpha-hydroxy ketone
cucurbitacin icucurbitacin I : A cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene substituted by hydroxy groups at positions 2, 16, 20 and 25 and oxo groups at positions 1, 11 and 22.

cucurbitacin I: toxic constituent in edible gourd; see also records for cucurbitacins & specific cucurbitacins
cucurbitacin;
tertiary alpha-hydroxy ketone
antineoplastic agent;
plant metabolite
harmanharman : 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
esculetinesculetin : 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
hydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
costunolidegermacranolide;
heterobicyclic compound
anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite
agathisflavoneagathisflavone : 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
baicaleintrihydroxyflavoneangiogenesis 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
chrysinchrysin : 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
cupressuflavonecupressuflavone : 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
3,7,4'-trihydroxyflavone3,7,4'-trihydroxyflavone: structure in first sourcehydroxyflavan
diosmetin3'-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
fisetin3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone
anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
genkwaningenkwanin : A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated.

genkwanin: structure
dihydroxyflavone;
monomethoxyflavone
metabolite
hispidulinhispidulin : A monomethoxyflavone that is scutellarein methylated at position 6.monomethoxyflavone;
trihydroxyflavone
anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
hyperosidequercetin 3-O-beta-D-galactopyranoside : A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity.beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
hepatoprotective agent;
plant metabolite
mangostinalpha-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
3-methylquercetinisorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group.7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone
anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
norathyriolnorathyriol : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C.

norathyriol: from Gentinanaceae; has vasorelaxing action on rat thoracic aorta; structure given in first source
polyphenol;
xanthones
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
norlichexanthonenorlichexanthone : 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
morinmorin : 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
morusinmorusin : 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
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
myricitrinmyricitrin : A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity.

myricitrin: isolated from root bark of Myrica cerifera L.; structure
alpha-L-rhamnoside;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone
anti-allergic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
rhamnetinrhamnetin : A monomethoxyflavone that is quercetin methylated at position 7.

rhamnetin: aglycone of xanthorhamnin; from Rhamnus
monomethoxyflavone;
tetrahydroxyflavone
anti-inflammatory agent;
antioxidant;
metabolite
santinsantin : 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
scutellareinscutellarein : 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
tetrahydroxyflavonemetabolite
wogoninwogonin : 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
coumestrolcoumestrol : 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
daidzein7-hydroxyisoflavonesantineoplastic 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'-tetrahydroxystilbenetrans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrolstilbenoid
Pinosylvin methyl etherstilbenoid
pterostilbenediether;
methoxybenzenes;
stilbenol
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
chicoric acidchicoric acid: inhibits HIV-1 integraseorganooxygen compoundgeroprotector;
HIV-1 integrase inhibitor
caffeic acid phenethyl esterphenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
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 acidgeroprotector;
plant metabolite
shogaolshogaol: from ginger, ZINGIBER OFFICINALE; less mutagenic than GINGEROL; structure given in first sourceenone;
monomethoxybenzene;
phenols
rottlerinrottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.

rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone
anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
ellagic acidcatechols;
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
curacin acuracin 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 sourcethiazoles
anandamideanandamide : 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-dihydroxyflavone4',7-dihydroxyflavone : A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7.

4',7-dihydroxyflavone: inducer of nod gene
dihydroxyflavonemetabolite
arachidonyl dopaminearachidonyl dopamine: a ligand for the vanilloid receptor VR1catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide
n-oleoyldopamineN-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
cilnidipine2-methoxyethyl ester;
C-nitro compound;
dihydropyridine
antihypertensive agent;
calcium channel blocker;
cardiovascular drug
josamycinacetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound
antibacterial drug;
metabolite
pecilocinpecilocin: fungicidal antibiotic produced by Paecilomyces varioti Bainier var. antibioticus; structureN-acylpyrrolidine
tranilasttranilast : 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
4-hydroxychalcone4-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'-hydroxychalcone4'-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'-dihydroxystilbenestilbene-4,4'-diol
10-octadecenoic acid, (z)-isomerlong-chain fatty acid
n-arachidonylglycineN-arachidonoylglycine : Biologically active derivative of anandamide

N-arachidonylglycine: structure in first source
fatty amide;
N-acylglycine
linoleoyl ethanolamidelinoleoyl ethanolamide : An N-acylethanolamine 18:2 that is the ethanolamide of linoleic acid.

linoleoyl ethanolamide: RN given for (Z,Z)-isomer
N-acylethanolamine 18:2EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor
n-oleoylethanolamineN-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
astrogorgiadiolastrogorgiadiol: structure in first sourcesesquiterpenoid
3-ketolithocholic acid3-ketolithocholic acid: structure in first sourceoxo-5beta-cholanic acid
camostat mesylatemethanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
indolidanindolidan: structure given in first source
perhexiline maleate
phenoxybenzamine hydrochlorideorganic molecular entity
quercetin
beta-nitrostyrenebeta-nitrostyrene: RN given refers to cpd without isomeric designation
sirolimussirolimus : 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
4-hydroxystilbene4-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
irosustatirosustat: Antineoplastic Agents, Hormonal; a tricyclic sulfamate ester; structure in first source
ophiocordinazepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin)
alvocidibalvocidib : 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
fenretinide4-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
geldanamycin1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound
antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
ic 261IC 261: a caseine kinase-1 inhibitor; structure in first source
tmi-1
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin17-(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
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
su 9516
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid4-(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
rutinquercetin-3-O-rutinoside: structure in first sourceflavonoids;
glycoside
N-(5-bromo-2-thiazolyl)-3-phenyl-2-(1-pyrrolyl)propanamideamphetamines
4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamidemethoxybenzenes
3-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-oneN-arylpiperazine
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamidepyrazoles;
ring assembly
4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl esterpyrazoles;
ring assembly
1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide1,3-oxazoles
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamidearomatic amide
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamideimidazoles
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-oneindoles
l-ccg iii
beta-funaltrexaminebeta-funaltrexamine: RN given refers to parent cpd(E)-isomer; structure given in first sourcemorphinane alkaloid
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamidebenzamides
cloprostenolCloprostenol: A synthetic prostaglandin F2alpha analog. The compound has luteolytic effects and is used for the synchronization of estrus in cattle.prostanoid
olvanilmethoxybenzenes;
phenols
pd 180970PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source
gp 683
preclamolpreclamol: centrally acting dopamine receptor agonist with selectivity for autoreceptors
k 185
l 7458703-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first sourcepiperazines
lacidipinecinnamate ester;
tert-butyl ester
dl-threo-beta-benzyloxyaspartate
nalbuphineNalbuphine: 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 compoundmu-opioid receptor antagonist;
opioid analgesic
pd 1289071-benzopyran
calyculin acalyculin A: RN given refers to (5S-(5alpha(2R*(1S*,3S*,4S*,5R*,6R*,7E,9E,11E,13Z),3R*),7beta(E(S*)),*beta,9alpha))-isomer
obelinobelin: calcium-sensitive photoprotein obtained from the hydroid Obelia geniculata
cgp 77675CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source
pd 166285
sr 59230atetralins
vinorelbineacetate 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))methanoneWIN 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
kn 93KN 93: reduces dopamine content in PC12h cells

KN-93 : A sulfonamide resulting from the formal condensation of p-methoxybenzenesulfonic acid with the anilino nitrogen of 2-(aminomethyl)-N-(2-hydroxyethyl)aniline in which the hydrogens of the primary amino group have been replaced by methyl and p-chlorocinnamyl groups. KN-93 is a selective inhibitor of Ca(2+)/calmodulin-dependent protein kinase II.
monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound
EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector
silodosinsilodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first sourceindolecarboxamide
kn 62KN 62: inhibitor of Ca/calmodulin-dependent protein kinase IIpiperazines
su 6656SU 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 271046SB 271046: 5-HT(6) receptor antagonist; structure in first source
bisdemethoxycurcuminbisdemethoxycurcumin : 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
rosmarinic acidrosemarinic acid: a dimer of caffeic acid isolated from rosemary

rosmarinate : The conjugate base of rosmarinic acid; major species at pH 7.3.
carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
cannabigerolcannabigerol : 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
centaureidincentaureidin : 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
kaempferol 3-o-rhamnosideafzelin : 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
syringinsyringin : A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage.

syringin: a phenylpropanoid glycoside; see also eleutherosides & lyoniside for eleutheroside A: 474-58-8
beta-D-glucoside;
dimethoxybenzene;
monosaccharide derivative;
primary alcohol
hepatoprotective agent;
plant metabolite
3,5-dimethoxy-trans-stilbene3,5-dimethoxystilbene: structure in first sourcestilbenoid
albaconolalbaconol: from the mushroom Albatrellus; structure in first source
eupatineupatin : A trimethoxyflavone that is quercetagetin methylated at positions 4', 6 and 7.flavonols;
trihydroxyflavone;
trimethoxyflavone
fumarprotocetraric acidfumarprotocetraric acid: RN given refers to (E)-isomer; structure given in first sourcecarbonyl compound
isoginkgetinisoginkgetin : 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
icaritinicaritin: structure in first source
icariinflavonols;
glycosyloxyflavone
antioxidant;
bone density conservation agent;
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
phytoestrogen
cudraflavone ccudraflavone C : A tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2' and 4' and prenyl groups at positions 3 and 6. Isolated from Morus nigra, it exhibits antibacterial and cytotoxic activities.

cudraflavone C: a tyrosinase inhibitor with antimicrobial activity; isolated from Artocarpus integer; structure in first source
tetrahydroxyflavoneantibacterial agent;
antineoplastic agent;
plant metabolite
muromonab-cd3cudraflavone 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
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one5,7-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
osthenolosthenol : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 8 has been replaced by a prenyl group.

osthenol: structure in first source
hydroxycoumarinantifungal agent;
plant metabolite
5,7-dihydroxy-4',6-dimethoxyflavone5,7-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
Piperaninebenzodioxoles
piperlongumininepiperlonguminine: from Piper longum; structure in first sourcebenzodioxoles
podocarpusflavone apodocarpusflavone A: isolated from Podocarpus imbricatusflavonoid oligomer
angiotensin amidepsilostachyin A: has antineoplastic, anti-inflammatory, leishmanicidal, and molluscicidal activities; isolated from Ambrosia psilostachya; structure in first source
atractylenolide iatractylenolide I: from Atractylodes macrocephala Koidz; structure in first source
5,7,2'-trihydroxyflavone5,7,2'-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 sourceflavones
3',4',7-trihydroxyflavone3',4',7-trihydroxyflavone: from the Sudanese medicinal plant Albizia zygia; structure in first sourceflavones
4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acidquinolines
furazolidone
fluvoxaminefluvoxamine : 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
casein kinase iiCasein 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.
arcyriaflavin aarcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first sourceindolocarbazole
pd 161570PD 161570: structure in first source
pd-173952
ag 538AG 538: an IGF-1 receptor kinase inhibitor; structure in first source
tyrphostin ag 555
tyrphostin ag-494AG 494: tyrphostin that blocks Cdk2 activation; structure in first source
ag-490catechols;
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
bosutinib4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first sourceaminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
semaxinibsemaxanib : 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
orantiniborantinib : 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 11248monocarboxylic 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 11652SU 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
n,n'-dimethyl-n,n'-bis(mercaptoacetyl)hydrazineN,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine: used to reduce disulfide bonds; structure in first source
palbociclibaminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
d-64406D-64406: structure in first sourceindolyl carboxylic acid
jnj-7706621sulfonamide
nifuroxazidenifuroxazide: structurebenzoic acids
7-hydroxycoumarin-4-acetic acid7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source
mitoguazonemitoguazone : 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
fosbretabulinstilbenoid
romidepsindepsipeptide : 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
guttiferone eguttiferone E: isolated from the fruits of Garcinia pyrifera collected in Malaysia; structure in first source
sulindac sulfidesulindac 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-dihydroxyflavone6,7-dihydroxyflavone: intensifies effect of antibiotics on Staphylococcus aureus; 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
oxiconazoleoxiconazole : 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
cinnamoylhydroxamic acidcinnamoylhydroxamic acid: RN given refers to parent cpd
bemoradanbemoradan: RN & structure given in first source
batimastatbatimastat : 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
2-(4-(dimethylamino)styryl)benzothiazole2-(4-(dimethylamino)styryl)benzothiazole: structure in first source
5,7,3'-trihydroxy-3,4'-dimethoxyflavone5,7,3'-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
ajoeneajoene: major antiplatelet compound in methanol extract of garlic; also inhibits trypanothione reductase.sulfoxide
3,4',5-trimethoxystilbene3,4',5-trimethoxystilbene: structure in first source
1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
vinblastine sulfate
(5R)-3'-phenyl-1-(phenylmethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trionepiperazines
(3S,3'aR,8'aS,8'bS)-5-ethyl-2'-(phenylmethyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trioneamino acid amide
nitrofurazonenitrofurazone : 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.
catharanthinealkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
ternatin (flavonoid)ternatin (flavonoid): from Sceptridium ternatum; also isolated from Egletes viscosa; structure in first sourceether;
flavonoids
aztreonam
beta-rubromycinbeta-rubromycin: structure given in first source
gamma-mangostingamma-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',7,8-trihydroxyisoflavone4',7,8-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first sourceisoflavones
zerumbonezerumbone : A sesquiterpenoid and cyclic ketone that is (1E,4E,8E)-alpha-humulene which is substituted by an oxo group at the carbon atom attached to two double bonds. It is obtained by steam distillation from a type of edible ginger, Zingiber zerumbet Smith, grown particularly in southeast Asia.

zerumbone: RN given for (E,E,E)-isomer; structure in first source
cyclic ketone;
sesquiterpenoid
anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite
pepstatinpepstatin: inhibits the aspartic protease endothiapepsinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
pd 144795
Norartocarpetinflavones
urolithin durolithin D: has antiproliferative activity; structure in first sourcehydroxycoumarin
lofepramine hydrochloride
pregabalinpregabalin : A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues.

Pregabalin: A gamma-aminobutyric acid (GABA) derivative that functions as a CALCIUM CHANNEL BLOCKER and is used as an ANTICONVULSANT as well as an ANTI-ANXIETY AGENT. It is also used as an ANALGESIC in the treatment of NEUROPATHIC PAIN and FIBROMYALGIA.
gamma-amino acidanticonvulsant;
calcium channel blocker
capuramycincapuramycin: from Streptomyces griseus 446-S3; structure given in first source
1,3-dihydro-7,8-dimethyl-2h-imidazo(4,5-b)quinolin-2-one1,3-dihydro-7,8-dimethyl-2H-imidazo(4,5-b)quinolin-2-one: structure given in first source
myricetin 3-o-glucuronidemyricetin 3-O-glucuronide : A myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 3-position.

myricetin 3-O-glucuronide: from Epilobium angustifolium
monosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone
metabolite
alvimopan anhydrousalvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for painpeptide
baohuoside ibaohuoside I: structure given in first source; isolated from the herb Epimedium davidiiglycosyloxyflavoneanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
olomoucine iiolomoucine II: structure in first source
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one2-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
vx680N-arylpiperazine
1,3,7-trihydroxy-2-(3-methylbut-2-enyl)-xanthone1,3,7-trihydroxy-2-(3-methylbut-2-enyl)-xanthone: from stems of Kielmeyera coriacea; structure in first source
9-Hydroxycalabaxanthonexanthones
otamixabanotamixaban: structure in first source
n'-((1e)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazideN'-((1E)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide: structure in first source
1,5-dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl esterquinazolines
methylbenzethonium chloridealkylbenzene
quinaldine redquinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure
2',3,4-trihydroxychalcone2',3,4-trihydroxychalcone: structure given in first sourcecatechols;
chalcones
mimulonemimulone: structure in first source
lyonisidedaucosterol : A steroid saponin that is sitosterol attached to a beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from Panax japonicus var. major and Breynia fruticosa.beta-D-glucoside;
monosaccharide derivative;
steroid saponin
plant metabolite
7-fluoro-2-phenyl-4-quinolone7-fluoro-2-phenyl-4-quinolone: structure given in first source; interacts with tubulin and prevents colchicine binding to tubulin
gi 129471GI 129471: metalloprotease inhibitor that blocks TNF-alpha secretion; structure given in first source
3,4-dihydroxy-xanthone3,4-dihydroxy-xanthone: structure given in first source
3',4'-dihydroxyaurone3',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
derrubonederrubone: an inhibitor of the Hsp90 protein folding machinery from Derris robusta; structure in first sourceisoflavanones
gw-5074
rubrolide arubrolide A: from Synoicum prunum; structure in first source
3,5-dihydroxy-4'-methoxystilbene4'-methoxyresveratrol: has anti-inflammatory effects in cell culture model
oroidinoroidin: from marine sponges of the genus Agelas; structure in first sourcepyrroles;
secondary carboxamide
metabolite
22,23-dihydroavermectin b(1)a22,23-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
monordenmonorden: inhibits HSP90 Heat-Shock Proteins, DNA topoisomerase VI and human Topoisomerase IIcyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols
antifungal agent;
metabolite;
tyrosine kinase inhibitor
iodoresiniferatoxiniodoresiniferatoxin: a vanilloid receptor 1 antagonist
rifamycin svrifamycin 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
ginkgolide b
diacetyldiphenylurea bisguanylhydrazonediacetyldiphenylurea 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
palonosetronpalonosetron : 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
2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source
psammaplin apsammaplin A: isolated from marine sponges Poecillastra and Jaspis; structure in second source
3-amino-5-(4-bromophenyl)-4-pyridazinecarbonitrilepyridazines;
ring assembly
d 4476imidazoles
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
avermectin b(1)aavermectin B(1)a: RN given refers to avermectin B(1)a; see also avermectins & demethylavermectinsavermectin
cinalukastcinalukast : 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
n-oleoylglycineN-oleoylglycine : A fatty acid derivative that is the 9Z-octadecenoyl derivative of glycine. It is believed to be an intermediate in oleamide biosynthesis.

oleoylglycine: long chain fatty acyl glycine
fatty amide;
N-acylglycine 18:1
metabolite
manoalidemanoalide : A sesterterpenoid isolated from the marine sponge Luffariella variabilis and which has been shown to exhibit inhibitory activity towards phospholipase A2.

manoalide: phospholipase A2 inhibitor; sesterterpene from marine sponge L. variabilis; structure given in first source
butenolide;
lactol;
sesterterpenoid
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite
cyanoginosin-lacyanoginosin-LA: from cyanobacterium Microcystis aeruginosapeptide
piericidin apiericidin 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
bwa 4c
cryptophycin 1
trichostatin ctrichostatin C: glycosylated trichostatin A; structure given in first source; do not confuse with TRICHOSANTHINO-amino sugar;
trichostatin
l 651896L 651896: structure given in first source
pironetinpironetin: a microbial secondary metabolite having the activity of shortening plant height from Streptomyces sp.; structure in first sourcealiphatic alcohol
kme 4KME 4: structure given in first source
mdl 27048MDL 27048: structure given in first source; powerful & reversible microtubule inhibitor
enofelast
e 3330E 3330: structure given in first source; MW 378.47
albocyclinealbocycline: macrolide antibiotic isolated from Streptomyces bruneogriseus nov. sp. MCRL-0129; specifically anti-staphylococcal, including antibiotic-resistant strains; structuremacrolide
16,16-dimethylprostaglandin f2alpha16,16-dimethylprostaglandin F2alpha: RN given refers to (5Z,9alpha,11alpha,13E,15R)-isomer
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
jl 13 compoundJL 13 compound: structure given in first source
ci 987CI 987: structure in first source
mkt 077MKT 077: structure given in first source
laq824LAQ824: Histone deacetylase inhibitor
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
arvanilarvanil: structure in first sourcemethoxybenzenes;
phenols
cannabigerolic acidcannabigerolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a geranyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant.

cannabigerolic acid: structure in first source
dihydroxybenzoic acid;
diterpenoid;
phytocannabinoid;
polyketide;
resorcinols
marminmarmin: structure in first source; RN given for (R-(E))-isomer
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
s 1360
abt-100ABT-100: farnesyltransferase inhibitor; structure in first source
indigo carmine3,5-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.
methyl chlorogenatemethyl chlorogenate: from Eriobotrya japonica; structure in first sourcequinic acid
tanespimycinCP 127374: analog of herbimycin A1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
gw 1929GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first sourcebenzophenones
a 419259
gdp 366GDP 366: an antineoplastic agent; structure in first source
nipecotic acid, (s)-isomer(S)-nipecotic acid : The (S)-enantiomer of nipecotic acid.nipecotic acid
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
b 43RK-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
dihydrexidinephenanthridines
gw2974GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2pyridopyrimidine
7-hydroxy-2-n,n-dipropylaminotetralin, (r)-isomer
l 750667L 750667: structure given in first sourcepiperazines
l 162313L 162313: a biphenylimidazole derivative; a non-peptide angiotensin agonist; no further information available 2/95
pd 404182
sb 222200quinolines
nitrofurantoinnitrofurantoin : 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
suloctidilSuloctidil: 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)
uh 232tetralins
am 404anilide
6-cyano-4-(n-ethylsulfonyl-n-methylamino)-3-hydroxy-2,2-dimethylchromane, (trans-(+))-isomer
alx 5407biphenyls
omdm-2 cpdOMDM-2 cpd: structure in first source
sb 334867-a1-(2-methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea: selective OX1 receptor antagonistnaphthyridine derivative
aminopurvalanol aaminopurvalanol A: casein kinase I alpha inhibitor; structure in first sourcemonochlorobenzenes;
purvalanol
protein kinase inhibitor
bvt.948
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-quinazolinaminequinazolines
tubacintubacin: inhibits histone deacetylase 6; structure in first source1,3-oxazoles
Retusin 7-Methyl Ethermethoxyisoflavone
cgp 533534,5-bis(4-fluoroanilino)phthalimide: structure in first sourcephthalimides
nifurtimoxNifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.nitrofuran antibiotic
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
acetyl isogambogic acidacetyl isogambogic acid: structure in first source
Garcinolic acidpyranoxanthones
furaginfuragin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [3-(5-nitro-2-furyl)prop-2-en-1-ylidene]amino group (the configuration of the C=C and C=N bonds in the grouping that links the two heterocycles is not specified). A nitrofuran antibiotic with properties similar to nitrofurantoin, furagin is used in the treatment of urinary tract infections.

Furagin: Nitrofuran derivative anti-infective agent used for urinary tract infections.
dantrolene
ik 682IK 682: inhibits TNF-alpha converting enzyme; structure in first sourcehydroxamic acid;
pyrrolidin-2-ones;
quinolines
bms 7408081-(3-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-6-(2'-(3-hydroxy-N-pyrrolidinyl)methyl-(1,1')-biphen-4-yl)-1,4,5,6-tetrahydropyrazolo-(3,4-c)-pyridin-7-one: structure in first source
cefdinircephalosporin;
ketoxime
antibacterial drug
fumagillinantibiotic 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
levomilnacipranLevomilnacipran: The (1S,2R)-isomer of milnacipran that is used for the treatment of MAJOR DEPRESSIVE DISORDER.acetamides
l 652731
evernimicin
stepholidinestepholidine: protoberberine alkaloid isolated from opium; dual D1 receptor agonist and D2 receptor antagonist
ginsenoside rb212beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
antiviral agent;
hypoglycemic agent;
plant metabolite
cilansetroncilansetron: structure given in first source; binds to 5-HT(3) receptors
vorozolevorozole: structure given in first source; vorozole/R 83842 is ((+)/dextro-isomer), RN 129731-10-8; R 83839 ((-)/levo-isomer)benzotriazoles
napsagatrannapsagatran: structure given in first source
temsirolimusmacrolide lactam
combretastatin a-4 disodium phosphate
vilazodonevilazodone : 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-tetroneoligopeptide
estradiol-3-o-sulfamate
sarizotansarizotan: serotonin 5-HT1A agonist improves motor complications in rodent and primate parkinsonian models
ac 7700AC 7700: a vascular disrupting agent; structure in first source
nps2143
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
altenusinaltenusin : 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
lu 208075ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertensiondiarylmethane
jwh-1331,1-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
2-ethyl-5-methoxy-n,n-dimethyltryptamine2-ethyl-5-methoxy-N,N-dimethyltryptamine: a 5-HT(6) receptor agonist; structure in first source
5-methoxy-2-phenyl-n,n-dimethyltryptamine
ms-245N,N-dimethyl-2-(1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl)ethylamine: a 5-HT(6) receptor ligand; structure in first source
hti-286HTI-286: a synthetic analog of the tripeptide hemiasterlin; structure in first source
belinostathydroxamic acid;
olefinic compound;
sulfonamide
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
ppi 2458PPI 2458: a methionine aminopeptidase-2 inhibitor with antirheumatic activity; structure in first source
ith 4012
pep0053-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source
sk-7041SK-7041: an antineoplastic agent; structure in first source
on 01910N-[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]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent
corosolic acidtriterpenoidmetabolite
panobinostatpanobinostat : 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-42HDAC-42: structure in first sourceamidobenzoic acid
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamidebenzamides
1-aminoadenosine1-aminoadenosine: structure
n-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamideN-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide: a KCC2 cotransporter antagonistpyridazines;
ring assembly
1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea: structure in first source
2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamidepiperidines
3-methyl-n-(3-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)isoxazole-5-carboxamide3-methyl-N-(3-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)isoxazole-5-carboxamide: a LIMK2 inhibitor; structure in first source
n1-(2-aminophenyl)-n7-phenylheptanediamide
bml 210N1-(2-aminophenyl)-N8-phenyloctanediamide: InChIKey: RFLHBLWLFUFFDZ-UHFFFAOYSA-Ndicarboxylic acid diamideantineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
a 770041aromatic amide
sl 327SL 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.
krn 633N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
c 1368
1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarbonitrilepyridopyrimidine
chlorhexidinechlorhexidine : 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 301-76conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
antiinfective agent
n,n-(4-xylylidene)bisaminoguanidineN,N-(4-xylylidene)bisaminoguanidine: RN in Chemline for di-HCl: 7044-24-8; RN for unspecified HCl: 62580-72-7

N,N'-(p-xylylidene)bis(aminoguanidine) : A guanidine derivative comprised of two carbamimidamido (guanidino) groups, each linked via one of their amino nitrogens to the imino nitrogens of 1,4-phenylenedimethanimine.
glyoxal bis(guanylhydrazone)glyoxal bis(guanylhydrazone): RN given refers to parent cpd
gemifloxacingemifloxacin : 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 thiosemicarbazone3-aminopyridine-2-carboxaldehyde thiosemicarbazone: a neuroprotective agent; structure given in first source
lassbio 294
armodafinilarmodafinil : 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]acetamidecentral nervous system stimulant;
eugeroic
radafaxineradafaxine: a bupropion metabolite; radafaxine is a (+)-isomer of hydroxybupropion
dov 216303
ave-8063AVE-8063: has both antivascular and antineoplastic activities; structure in first source
gw 274150
jnj 10198409
l 745337L 745337: a selective inhibitor of cyclooxygenase-2
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide
bms-262084BMS-262084: an azetidinone-based tryptase inhibitor; structure in first source
sch 351591SCH 351591: a phosphodiesterase 4 inhibitor; structure in first source

SCH-351591 : An aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4).
birt 377
2-methoxyestradiol-3,17-o,o-bis(sulfamate)2-methoxyestradiol-3,17-O,O-bis(sulfamate): an antiangiogenic microtubule disruptor; antineoplastic agent; structure in first source
givinostatcarbamate ester
n-demethylloperamidedesmethyl 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 60828YM 60828: YM-466 is the mesylate salt
l-791943L-791943: an phosphodiesterase iv inhibitor; structure in first source
rs 14203RS 14203: a type IV cyclic nucleotide phosphodiesterase inhibitor; structure in first source
braco-19BRACO-19: structure in first sourceacridines;
N-alkylpyrrolidine
telatinib
edotecarin
y-39983Y-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 sourcepyrrolopyridine
dolastatin 10dolastatin 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
bimosiamosebimosiamose: a selectin inhibitor
cp 5476323-(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
n,n'-((5-(2-amino-5-(2-methylpropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(alanine) diethyl esterN,N'-((5-(2-amino-5-(2-methylpropyl)-4-thiazolyl)-2-furanyl)phosphinylidene)bis(alanine) diethyl ester: structure in first source
bms3455414(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first sourcequinoxaline derivative
5'-amino-5'-deoxyadenosine
rwj 68354
vidofludimusvidofludimus: a dihydroorotate dehydrogenase inhibitor; structure in first source
cp 293019CP 293019: structure given in first source
bb-78485BB-78485: structure in first source
sb 223245
lenvatiniblenvatinib : 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 029TAK 029: structure in first source
ro 32-3555Ro 32-3555: structure given in first source
pd 0325901mirdametinib: 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
gsk 256066
midostaurinmidostaurin : 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
gw406381xGW406381X: cyclooxygenase-2 inhibitor
o-demethyltramadolalkylbenzene;
ring assembly
4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamidearyl sulfide
l 161240
istaroximeIstaroxime: PST-2744 is the (E,Z)-isomer; a positive cardiac inotropic agent; structure in first source
rs 25344RS 25344: inhibits phosphodiesterase PDE-4D3; structure given in first source
2-meoemate
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide: a long-acting COX-2 inhibitor; structure in first source

mavacoxib : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and 4-fluorophenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine to treat pain and inflammation in dogs with degenerative joint disease.
organofluorine compound;
pyrazoles;
sulfonamide
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ci 1044CI 1044: inhibits PDE4; structure in first source
(((4-nitrophenyl)amino)(2,2,4,4-tetramethyl thiochroman-6-yl)amino) methane-1-thione
a 286982A 286982: inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source
l 772405L 772405: an h5-HT(1D) receptor agonist; structure in first source
11-keto-boswellic acid
bms561392BMS561392: structure in first source
px-866PX-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
ki23057Ki23057: K-samII/FGF-R2 phosphorylation inhibitor for treatment of scirrhous gastric cancer; structure in first source
cyclic(arg-gly-asp-d-phe-val)
l-454,560L-454,560: Phosphodiesterase Inhibitor; structure in first source
mk-0429
ala-thr-trp-leu-pro-pro-arg
gentamicin sulfate
sc-75416SC-75416: a benzopyran (chromene) COX-2 inhibitor
sb-505124SB 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
4-methylcoumarin 7-o-sulfamate
gw 66042-phenyl-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine: inhibits the receptor ALK5; structure in first source
sb 242235SB 242235: p38 MAP kinase antagonist
ripasudilisoquinolines
f 13640befiradol: a selective serotonin 5-HT1A receptor agonist
mocetinostatmocetinostat : 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
sch 527123
[2-[[2-[(dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanolaryl sulfide
sc 2364-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide: SC58236 = SC236 re email from Harris, Ray
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
sb 273005
ki 20227
avanafilaromatic amide;
monocarboxylic acid amide;
organochlorine compound;
prolinols;
pyrimidines
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
scio-469SCIO-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
tak 4751-((1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl)acetyl)piperidine-4-acetic acid: inhibits squalene synthase; structure in first source
t 1032T 1032: a cyclic GMP phosphodiesterase-5 inhibitor; structure in first source
cp 7247142-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 source2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acidhydroxybenzoic acid
sb 3ct compoundSB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first sourcearomatic ether
3-hydroxy-4,3',4',5'-tetramethoxychalcone3-hydroxy-4,3',4',5'-tetramethoxychalcone: structure in first source
pi103PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first sorucearomatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
3,5-bis(2-fluorobenzylidene)piperidin-4-one3,5-bis(2-fluorobenzylidene)piperidin-4-one: an antineoplastic agent; structure in first source
cdp 840CDP 840: RN refers to (R)-isomer; structure given in first source
slv 313
nnc 05-2090NNC 05-2090: structure given in first sourcecarbazoles
fauc 346FAUC 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
ct52923CT52923: structure in first source
ngb 2904NGB 2904: a dopamine D3 receptor antagonist; structure in first sourcefluorenes
n-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(l)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride
nsc 348103
dpc 423
sb t-1214
ginsenoside rb1ginsenoside;
glycoside;
tetracyclic triterpenoid
anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
gentamicin sulfate
y 27632, dihydrochloride, (4(r)-trans)-isomer
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide: an IKK-2 kinase inhibitor; structure in first sourcearomatic amide;
thiophenes
ro 31-9790Ro 31-9790: hydroxamic acid derivative
mdl 105725MDL 105725: structure given in first sourcemethoxybenzenes;
phenols
4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one: structure in first source
bn 52020
pnu 109291PNU 109291: 5-HT(1D) receptor agonist; structure in first source
pnu 96415epiperazines
sr 271425SR 271425: structure in first source
zd 8321ZD 8321: inhibits human leukocyte elastase; structure in first source
sb 705498SB 705498: structure in first source
gw 813893
tivozanibN-(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 sourcearomatic ether
l 374087
kw 2581KW 2581: structure in first source
tr 14035N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source
darexaban
lb 30057
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
l-826,141L-826,141: structure in first source
dolastatin 15dolastatin 15: from Dolabella auricularia; seven subunit depsipeptide
ym-254890YM-254890: structure in first source
fk 8813-methoxy-1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazole: structure in first source
cay 10499carbamate ester
tofacitinibtofacitinib : 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
(-)-n-((2s,3r)-3-amino-2-hydroxy-4-phenyl-butyryl)-l-leucine methyl ester
bibr 1532
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
sophoflavescenolsophoflavescenol: a prenylated flavonol from the roots of Sophora flavescens; structure in first source
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamideN-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide: a vanilloid receptor 1 antagonist and analgesic; structure in first sourcepiperazines;
pyridines
tryprostatin atryprostatin 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
rucaparibAG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first sourceazepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound
antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
arginyl-glycyl-aspartyl-valine
cediranibaromatic ether
arenastatin a
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
ps1145PS1145: IkappaB kinase inhibitor; structure in first sourcebeta-carbolines
npi 2358NPI 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-779,450L-779,450: B-Raf kinase inhibitor; structure in first sourceimidazoles
3-iodothyronamine3-iodothyronamine: a thyroid hormone derivative that may be involved in a fast response signaling pathway; structure in first sourcearomatic ether
bay 41-8543BAY 41-8543: structure in first sourcepyrazolopyridine
aq4nAQ4N: structure given in first source
chir 99021CHIR 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
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 1211BIO 1211: integrin alpha4beta1 inhibitor; structure in first source
sb 5253346-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitorquinoxaline derivative
CAY10435oxazolopyridine
5-hydroxyrofecoxib5-hydroxyrofecoxib: structure in first source
ne 21650NE 21650: inhibits isopentenyl diphosphate isomerase; structure in first source
sch 51344SCH 51344: inhibits ras transformation; structure given in first source

SCH51344 : A pyrazoloquinoline that is 6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline bearing an additional 2-[(2-hydroxyethoxy)ethyl]amino substituent at position 4
aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound
antineoplastic agent
680c91680C91 : 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
ne 10790
3,4,5,6-tetrahydroxyxanthone
sm360320SM360320: Proc Natl Acad Sci U S A 2006 Feb 7;103(6):1828-33
n-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamideN-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide: structure in first source
arachidonoylserotoninarachidonoylserotonin: 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
ly2090314LY-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 bleucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source
LSM-1328sesquiterpenoid
arp-100
2-carbomethoxy-8-(3-fluoropropyl)-3-(4-iodophenyl)tropane2-carbomethoxy-8-(3-fluoropropyl)-3-(4-iodophenyl)tropane: used in PET and SPECT imaging of dopamine transporters; structure in first source
8-(methylthio)cyclic 3',5'-adenosine monophosphate8-(methylthio)cyclic 3',5'-adenosine monophosphate: structure
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
methyl 3,5-di-o-caffeoyl quinate3,5-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.
bx795BX795: structure in first sourceureas
n,n-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine
ly-2157299LY-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
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
oblongifolin coblongifolin C: has antineoplastic activity; isolated from Garcinia yunnanensis; structure in first source
pazopanibpazopanib : 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
azd 6244AZD 6244: a MEK inhibitorbenzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
phenobarbital sodium2-(phosphonomethyl)pentanedioic acid: an N-acetylated alpha-linked acidic dipeptidase (NAALADase) antagonist
su 148135-((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
darexaban glucuronidedarexaban glucuronide: structure in first source
a 443654A 443654: an Akt kinase inhibitor; structure in first sourceindoles
apixabanaromatic ether;
lactam;
piperidones;
pyrazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
gpi 56932-(3-mercaptopropyl)pentanedioic acid: inhibits glutamate carboxypeptidase II; structure in first source
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamideN-(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
gw 7993884-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide: a TGF type I receptor antagonist; structure in first source
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamideaminobenzoic acid
77-lh-28-177-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source
licoflavone clicoflavone C: Antimutagenic Agent; a naturally occurring prenyl-flavone extracted from Genista ephedroides; structure in first source
n,n-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamineN,N-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamine: structure in first sourcearyl sulfide
fauc 365FAUC 365: a dopamine D3 receptor antagonist; structure in first source
binimetinibbinimetinib : 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 1421JYL 1421: a vanilloid receptor antagonist; structure in first source
sotrastaurinsotrastaurin : 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 788AEE 788: structure in first source6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
saracatinibaromatic 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
sd-208
6-hydroxybenzbromarone6-hydroxybenzbromarone: metabolite M2 of benzbromarone
rpr 120844
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamideboceprevir : A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.tripeptide;
ureas
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
2-acetylfuranonaphthoquinone2-acetylfuranonaphthoquinone: has antineoplastic activity; structure in first source
luotonin aluotonin A: structure in first sourcequinazolines
di-2-pyridylketone-4,4-dimethyl-3-thiosemicarbazone
fauc 213
way-208466
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
n-salicyloyltryptamineN-salicyloyltryptamine: an anticonvulsant that acts on sodium, calcium, and potassium ion channels
bpr0l075
(z,z)-babch
crenolanibaminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
m-chlorophenylguanidine
9-(aminomethyl)-9,10-dihydroanthracene9-(aminomethyl)-9,10-dihydroanthracene: 5HT2A receptor antagonist; structure in first source
fauc 113
desmethoxyfallypridedesmethoxyfallypride: structure given in first source
phakellistatin 2phakellistatin 2: isolated from the marine sponge Phakellia carteri; structure in first source
meridianin ameridianin A: structure in first source
2-(3',4',5',6'-tetrahydro-2'h-(2,4') bipyridinyl-1'-yl)-n-m-tolyl-acetamide
ol-135
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
cay 104043-(4-methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole: a cyclooxygenase-2 (Cox-2) inhibitorsulfonic acid derivative
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
bms 599626
3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile: a serotonin transporter antagonist; structure in first source
exel-7647tesevatinib : 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
volasertibBI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source
pha 665752dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide
antineoplastic agent;
c-Met tyrosine kinase inhibitor
amg 009AMG 009: an anti-inflammatory agent; structure in first source
l 783277
3-o-methylfunicone3-O-methylfunicone: derived from Penicillium pinophilum; structure in first source
n'-(10h-indolo(3,2-b)quinolin-11-yl)-n,n-dimethylpropane-1,3-diamine
4'-demethylamino-4'-hydroxystaurosporine4'-demethylamino-4'-hydroxystaurosporine: structure given in first source; produced by Streptomyces sp. RK-286
ly 338522LY 338522: des-methyl metabolite of LY333531; structure in first source
vl-0395VL-0395: structure in first source
PDGF receptor tyrosine kinase inhibitor IIIPDGF 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
edgeworinedgeworin: from Dirca occidentalis Gray; structure given in first source
1-phenyl-2-(1-pyrrolidinyl)-1-pentanonealpha-pyrrolidinovalerophenone: a designer drug; structure in first source
azd 7762aromatic amide;
thiophenes
cariprazinecariprazine : 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
bx 517BX 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
acetyl-11-ketoboswellic acidacetyl-11-ketoboswellic acid: a 5-lipoxygenase inhibitor; structure given in first sourcetriterpenoid
at 7867monochlorobenzenes;
piperidines;
pyrazoles
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
abt-737aromatic 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
brivanibaromatic 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
naphyrone1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one: a monoamine uptake inhibitor; structure in first source
scyphostatinscyphostatin: a neutral sphingomyelinase inhibitor isolated from Trichopeziza mollissima; structure in first sourcecyclohexenones
pha 680632PHA 680632: Aurora kinase inhibitor with potent antitumoral activity; structure in first source
abt 102ABT 102: a TRPV1 antagonist; structure in first source
mp470N-arylpiperazine
rgb 286638
mb 05032
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamideN(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-566394BMS-566394: structure in first source
5-hydroxy-2-n,n-dipropylaminotetralin, (s)-isomer
np 031112tideglusib : 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
ki 8751N-(2,4-difluorophenyl)-N'-(4-((6,7-dimethoxy-4-quinolyl)oxy)-2-fluorophenyl)urea: structure in first sourcearomatic ether
pd 0305970
at 75194-(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
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
3-o-acetyl-beta-boswellic acid3-O-acetyl-beta-boswellic acid: isolated from Boswellia serrata; structure in first source
oglemilastoglemilast: a PDE4 inhibitor and NSAID; no further info available 1/2006
inno-406biaryl
compound 26
r 1487
nvp-ast487NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells
verubulinverubulin: antineoplastic; a small-molecule inhibitor of microtubule formation that is not a substrate for multidrug resistance pumps; structure in first source
a 7841681-(3-(trifluoromethyl)pyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide: a TRPV1 antagonist
kw 2449KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source
naluzotannaluzotan: an antidepressant and anti-anxiety agent; structure in first source
nutlin-3anutlin 3: an MDM2 antagonist; structure in first sourcestilbenoid
danusertibpiperazines
apratastatapratastat: structure in first sourcesulfonamide
zampanolidezampanolide: 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]benzamidebenzamides
nvp-aew541
pg 01037
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 8931sapitinib : 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
arq 197indoles
azd 1152AZD-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
lbw242LBW242: proapoptotic IAP inhibitor; low MW Smac (Second mitochondria-derived activator of caspases) mimetic; structure in first source
ly2183240LY2183240: structure in first sourcebiphenyls
pf 00299804dacomitinib : 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
methylphenidateN-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide: a fatty acid amide hydrolase inhibitor; structure in first source
azd2932AZD2932: structure in first source
ridaforolimusmacrolide lactam
dorsomorphindorsomorphin : 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
azd3241AZD3241: a myeloperoxidase inhibitor
quisinostatindoles
plx647
chir 090CHIR 090: structure in first source

CHIR-090 : An L-threonine derivative obtained by formal condensation of the carboxy group of 4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzoic acid with the amino group of N-hydroxy-L-threoninamide.
acetylenic compound;
benzamides;
hydroxamic acid;
L-threonine derivative;
morpholines
antimicrobial agent;
EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor;
lipopolysaccharide biosynthesis inhibitor
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
carfilzomibepoxide;
morpholines;
tetrapeptide
antineoplastic agent;
proteasome inhibitor
le 404
apremilastaromatic ether;
N-acetylarylamine;
phthalimides;
sulfone
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
cortistatin acortistatin 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 avialinin A: free radical scavenger from an edible mushroom in China; structure in first source
mrk 560MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source
mk-8141MK-8141: renin inhibitor; structure in first source
pf-2545920
2-ethylestradiol sulfamate2-ethyloestradiol-bis-sulfamate: structure in first source
f-amidineF-amidine: structure in first sourceN-acylglycine
cc-930
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine3-[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
cannabidivarincannabidivarin: from Cannabis sativamonoterpenoid
digeranyl bisphosphonatedigeranyl bisphosphonate: structure in first source
nsc-287088
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source
tak 285N-(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-aspartateL-beta-threo-benzyl-aspartate: structure in first source
milnacipranacetamides
lassbio-579LASSBio-579: structure in first source
glanatec
incb3619INCB3619: ADAM inhibitor; structure in first source
idelalisibidelalisib : 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
crizotinibcrizotinib : 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-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrilebenzimidazoles
as 2524245-(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-carboxamideVx-11e: ERK1-2 inhibitoraromatic amide;
heteroarene
osi 906cyclobutanes;
quinolines
cgp 57380CGP 57380: inhibits the mitogen-activated protein kinase-interacting kinase Mnk1pyrazolopyrimidine
4-cyano-N-[4-(4-methyl-1-piperazinyl)-2-(4-methyl-1-piperidinyl)phenyl]-1H-pyrrole-2-carboxamidearomatic amide
ly2109761
chir-265aromatic ether
dov 21947
lorcaserinlorcaserin : 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
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
in 11303-((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-628AZ-628: a multikinase inhibitor; structure in first sourcebenzamides
jnj 28312141
ginsenoside rdginsenoside Rd : A ginsenoside found in Panax ginseng and Panax japonicus var. major that is (20S)-ginsenoside Rg3 in which the hydroxy group at position 20 has been converted to its beta-D-glucopyranoside.

ginsenoside Rd: RN refers to (3beta,12beta)-isomer
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary
trametinibacetamides;
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
mln8054benzazepine
pf-562,271indoles
pha 767491PHA 767491: a Cdc7 inhibitor; structure in first sourcepyrrolopyridine
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
zj43ZJ43: N-acetylaspartylglutamate (NAAG) peptidase inhibitor; structure in first source
2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine: structure in first source
abexinostatabexinostat: structure in first sourcebenzofurans
losartan potassiumErythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation.
pristinamycin iibvirginiamycin M2: structure in first source
gsk598809GSK598809: a dopamine D3 receptor antagonist
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine: structure in first source

halicin : A member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties.
1,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles
antibacterial agent;
c-Jun N-terminal kinase inhibitor
3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl estermethoxybenzenes
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) esterpiperazines
jnj-26483327JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010
palmitoylcarnitineO-palmitoyl-L-carnitine : An O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl).

Palmitoylcarnitine: A long-chain fatty acid ester of carnitine which facilitates the transfer of long-chain fatty acids from cytoplasm into mitochondria during the oxidation of fatty acids.
O-palmitoylcarnitine;
saturated fatty acyl-L-carnitine
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
human metabolite;
mouse metabolite
ly2603618ureas
2-hydroxyapomorphine, (r)-isomer
veliparibbenzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
digitoxigenin monodigitoxosidedigitoxigenin monodigitoxoside: RN given refers to (ribo-3beta,5beta)-isomer
sar 1118lifitegrast : 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
dactolisibdactolisib : 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
bgt226BGT226 : 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
sc1 compound
N-butyl-N-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamidequinazolines
[9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanonearomatic ketone;
quinolines
4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] esterbenzoate ester
chidamidebenzamides
11-deoxy glycyrrhetinic acidtriterpenoid
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid2alpha,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
alpha-amyrenonealpha-amyrenone: from Marsdenia officinalis Tsiang
evomonosideevomonoside : A cardenolide glycoside consisting of digitoxigenin having an alpha-L-rhamnosyl moiety attached at the O(3)-position.

evomonoside: a cytotoxic cardiac glycoside from Lepidium apetalum; RN refers to (3beta,5beta)-isomer
cardenolide glycoside
oleanonic acidoleanonic acid: structure in first source
roburic acidroburic acid : A tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla.monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid
plant metabolite
[5-Chloranyl-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] ethanoateazaphilone
octoclothepine, (s)-isomer
helicidehelicide: structure given in first sourceglycoside
erythrosineerythrosin 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.
2-(3-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
8-benzylthio-n(6)-n-butyladenosine cyclic-3,5'-monophosphate8-benzylthio-N(6)-n-butyladenosine cyclic-3,5'-monophosphate: may be useful as myocardial stimulant; structure given in first source
beta-3-oxindolylalaninebeta-3-oxindolylalanine: main intermediate in tryptophan degration occurring in acid hydrolysis of protein
3-isomangostin3-isomangostin: structure in first sourcexanthones
hc toxin
FR900359FR900359: G-protein inhibitor from Ardisia crenata sims that shows inhibition of platelet aggregation and decrease of blood pressurecyclodepsipeptide
atractylenolide iiatractylenolide II: from Atractylodes ovata; structure in first sourcesesquiterpene lactone
hypocrellin ahypocrellin A: isolated from fungus Hypocrella bambusae sacc
lyonisidelyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer
mogrolmogrol : A tetracyclic triterpenoid that is cucurbitadienol in which the side-chain double bond (position 24-25) has undergone formal oxidation to introduce hydroxy groups at positions 24 and 25 (the 24R stereoisomer). It is a biometabolite of mogrosides found in Siraitia grosvenorii.hydroxy seco-steroid;
tetracyclic triterpenoid
antineoplastic agent
ncq 298NCQ 298: structure given in first source
omdm 169OMDM 169: has antinociceptive activity; structure in first source
trans-avicennoltrans-avicennol: from Zanthoxylum chiloperone var. angustifolium; structure in first source
sch 51866SCH 51866: structure given in first source
n-trans-p-coumaroyl-l-tyrosineN-trans-p-coumaroyl-L-tyrosine: from Theobroma cacao; structure in first sourcetyrosine derivative
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamideC-nitro compound
gsk 461364GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1(trifluoromethyl)benzenes
2-(2-methoxyanilino)-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-oneN-acylpiperidine
amg 517
azd 1152-hqpaAZD2811: has antineoplastic activity; structure in first sourceanilide;
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)acetamideacridines
N-[3-(diethylamino)propyl]-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamidequinazolines
5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamidepyrimidinecarboxamide
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamidepyrimidinecarboxamide
4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(phenylmethyl)butanamidebenzoxazine
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamidesulfonamide
[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanonepiperazines
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamideanilide
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamideanilide
3,5-dimethoxy-N-[1-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]benzamidequinolines
nvp-tae684piperidines
4-(4-(3-adamantan-1-ylureido)cyclohexyloxy)benzoic acid
a 803467A 803467: an Nav1.8 sodium channel blocker; structure in first source
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinaminequinazolines
2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamideaminopyrimidine;
benzamides
protein kinase inhibitor
sch 725680Sch 725680: an aazaphilone from Aspergillus sp.; structure in first source
mf63 compoundMF63 compound: a phenanthrene imidazole identified as a potent, selective, and orally active mPGES-1 inhibitor; structure in first source
alx 1393ALX 1393: a GlyT2 inhibitor
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source
azumamide eazumamide E: a natural cyclic tetrapeptide isolated from marine sponge Mycale izuensis; histone deacetylase inhibitor; structure in first source
gsk 269962a
sb 772077-b
e 7050aromatic ether
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
tanninsgallotannin : 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
ly-146032heterodetic cyclic peptide;
lipopeptide;
lipopeptide antibiotic;
macrocycle;
macrolide
antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
violaceol IIviolaceol II : An aromatic ether in which the ether functionality links a 2,3-dihydroxy-5-methylphenyl group with a 2,6-dihydroxy-4-methylphenyl group. Fungal metabolite isolated inter alia from Aspergillus spp.aromatic ether;
catechols;
resorcinols
mycotoxin
2-(2-acetyl-3,5-dihydroxyphenyl)acetic acidaromatic ketone
guttiferone kguttiferone K: antiproliferative compound of Rheedia calcicola from the Madagascar rain forest; structure in first source
3-methylbutanoic acid [(2R,3S,6S,7R)-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] esterN-acyl-amino acid
pamapimodpamapimod : A member of the class of pyridopyrimidines that is 8-methylpyrido[2,3-d]pyrimidin-7(8H)-one carrying additional (1,5-dihydroxypentan-3-yl)amino and 2,4-difluorophenoxy substituents at positions 2 and 6 respectively. It is a potent inhibitor of MAPK and is used for treatment of rheumatoid arthritis.aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound
antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gdc-0973cobimetinib : 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
amikacin
buparlisibNVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first sourceaminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
azd 1480
famitinibfamitinib: structure in first source
azd8330pyridinecarboxamide
cyclopenol
phenylmercuric acetatePhenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide.arylmercury compound;
benzenes
thimerosalthimerosal : 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 compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen
pha 848125N,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
ro5126766CH5126766 : 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
tg101209N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
fedratinibfedratinib: a selective small-molecule inhibitor of JAK2sulfonamide
gsk6906931,2,5-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
cnf 20242-aminopurines;
aromatic ether;
organochlorine compound;
pyridines
antineoplastic agent;
Hsp90 inhibitor
sp 2033-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source
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-decaene14-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
nvp-bhg712benzamides
azd5438sulfonamide
3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamidebiphenyls
t-tucb
alendronate sodium
(e)-3-(2,3,4,5-tetrabromophenyl)acrylic acid(E)-3-(2,3,4,5-tetrabromophenyl)acrylic acid: casein kinase II inhibitor
N-(2-aminophenyl)-2-pyrazinecarboxamidearomatic amide
mavatrepmavatrep: a transient receptor potential vanilloid 1 antagonist; structure in first source
cct 128930
pf 04217903quinolines
kd 5170KD 5170: a histone deacetylase inhibitor; structure in first source
3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrilepyrrolopyrimidine
gdc 0941pictrelisib : 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 164SM 164: a bivalent Smac mimetic with antineoplastic activity; structure in first sourcebenzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles
antineoplastic agent;
apoptosis inducer;
radiosensitizing agent
3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
Norartocarpanoneflavanones
cauloside Dcarboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin
anti-inflammatory agent;
plant metabolite
icotinib
ph 797804PH 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
nnc 55-0396NNC 55-0396 dihydrochloride : The dihydrochloride salt of NNC 55-0396. It is a stable analogue of mibefradil and a highly selective T-type calcium channel blocker.

NNC 55-0396: a calcium channel blocker with high selectivity for CaV3 channels over high voltage activated channels; structure in first source
hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
5-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
2-(4-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamidesulfonamide
gsk 1016790aGSK1016790A : 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
kx-01
kys 05090
halisulfate 1halisulfate 1: an isocitrate lyase inhibitor sesterterpene sulfate from sponge, Hippospongia sp.; structure in first sourceorganic molecular entitymetabolite
tofisopamorganic sodium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
u 63557a
meclofenamate sodium anhydroussodium 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.hydrateanalgesic;
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
ahr 5850sodium (2-amino-3-benzoylphenyl)acetate : An organic sodium salt having amfenac(1-) as the counterion.organic sodium saltcyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
olaparibcyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines
antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
srt1460SRT1460: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
srt1720
srt2183SRT2183: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
plx 4720PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first sourcearomatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
beta-Elemonic acidbeta-elemonic acid: extracted from Boswellia carteriitriterpenoid
lcl1611,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine
antineoplastic agent;
apoptosis inducer
mk 5108aromatic ether
cx 4945
pci 34051PCI 34051: an HDAC8 inhibitorindolecarboxamide
cudc 1017-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source
largazolelargazole: an antiproliferative agent from Symploca; structure in first source
amg 4581-(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
arry-614pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein
mk-7009vaniprevir : An azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan.

vaniprevir: inhibits hepatitis C virus NS3/4a protease
azamacrocycle;
carbamate ester;
cyclopropanes;
N-sulfonylcarboxamide;
pyrrolidinecarboxamide
antiviral drug;
hepatitis C protease inhibitor
tak 593TAK 593: structure in first source
mln 8237MLN 8237: an aurora kinase A inhibitorbenzazepine
tenovin-6tenovin-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
sgx 523aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine
c-Met tyrosine kinase inhibitor;
nephrotoxic agent
bms 754807BMS 754807: an IGR-1R kinase inhibitor; structure in first sourcepyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
gdc-0068ipatasertib: an Akt kinase inhibitor; structure in first sourceN-arylpiperazine
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyridinylthio)acetamidepyrazoles;
ring assembly
bms 777607N-(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 sourcearomatic amide
sgi 1776SGI 1776: a Pim kinase inhibitor; structure in first sourceimidazoles
am 6701
ys 1212-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid: inhibits microsomal prostaglanding E2 synthase; structure in first sourcemedium-chain fatty acid
3-[[1-[1-(methylthio)propan-2-yl]-4-piperidinyl]oxy]-N-(2-pyridinylmethyl)benzamidebenzamides
pci 32765ibrutinib : 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
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
amg 900N-(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
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
cgi 1746CGI 1746: inhibits Bruton's protein kinase (Btk); structure in first source
sgi-1027SGI-1027: inhibits DNA methyltransferase 1; structure in first source
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
sch772984biaryl;
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
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
at13148
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl esterCAY10603: a HDAC6 inhibitorcarbamate ester
niraparibniraparib : 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-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
az 505AZ 505: an SMYD2 inhibitor; structure in first source
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
cc-1223-(5-amino-2-methyl-4-oxoquinazolin-3(4H)-yl)piperidine-2,6-dione: a pleiotropic pathway modifier with antineoplastic activity; structure in first source
n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amidebenzenes
2-(4-morpholinyl)-N'-[(2-nitrophenyl)-oxomethyl]-4-thiazolecarbohydrazideC-nitro compound
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
isocombretastatin a-4
at 406
bi d1870
lucitanibE-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
belactosin abelactosin A: isolated from Streptomyces; structure in first source
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamidemomelotinib : 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-2036rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agentorganofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines
tyrosine kinase inhibitor
cep 26401pyridazines;
ring assembly
thiouredopyrenetrisulfonateN-[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.phenylureasEC 3.3.2.10 (soluble epoxide hydrolase) inhibitor
az 960
cabozantinibcabozantinib : 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
pf-044189481-(4-fluorobenzoyl)-3-(((6-methoxy-2-naphthyl)oxy)methyl)azetidine-3-carboxylic acid: structure in first source
defactinib
ly2584702
trichostatin rktrichostatin RK: from Streptomyces sp. RK98-A74.; structure in first source
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinibHM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric canceracrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline
antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026ASP-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
entrectinibentrectinib : 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
pexidartinibpexidartinib : 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
TAK-580MLN 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 2126458omipalisib : 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
emd1214063tepotinib: MET inhibitor
gsk 1838705aorganonitrogen compound;
organooxygen compound
ldn 193189LDN 193189: inhibits bone morphogenetic protein signalingpyrimidines
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinolpiperidines
ucph 1012-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: structure in first source
pf 3758309PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first sourceorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0834
cem 101solithromycin: an antibacterial fluoroketolide; structure in first source
gdc 0980
azd2014vistusertib: 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 sourcebenzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
n-arachidonoylalanineN-arachidonoyl-L-alanine : An N-acyl-L-alanine resulting from the formal condensation of the amino group of L-alanine with the carboxy group of arachidonic acid.

N-arachidonoylalanine: inhibits fatty acid amide hydrolase; structure in first source
N-(fatty acyl)-L-alpha-amino acid;
N-acyl-L-alanine
mammalian metabolite
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
azd7687AZD7687: structure in first source
amg 853vidupiprant: structure in first source
meiogynin ameiogynin A: from the bark of Meiogyne cylindrocarpa; structure in first source
gsk 1363089GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first sourcearomatic ether
arry-334543ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source
kin-193pyridopyrimidine
mk 2461
6-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-fluorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-[2-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2,5-dimethoxyphenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile6-aminopurines
6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile6-aminopurines
9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrileimidazoles
garcinone cgarcinone C: an acetylcholinesterase inhibitor; isolated from Garcinia mangostana; structure in first sourcexanthones
bay 869766
as 703026pyridinecarboxamide
sar 020106SAR 020106: a CHK1 inhibitor; structure in first source
baricitinibazetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide
anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl esterWYE-354: an mTOR inhibitor; structure in first sourcecarbamate ester
grassystatin agrassystatin 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 esterazabicycloalkane
laherradurinlaherradurin: structure in first source
kuraridinkuraridin: isolated from Sophora flavescens; structure in first source
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
win 35,065-2
p505-15
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
mrt67307MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first sourcearomatic amine
nitd 609NITD 609: an antimalarial and coccidiostat; structure in first source
iwr-1 endoIWR-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
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
au-1
ulixacaltamideZ944: a T-type calcium channel antagonistbenzamides;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary carboxamide
non-narcotic analgesic;
T-type calcium channel blocker
voacristinevoacristine: indole alkaloid from leaves of Ervatamia coronaria; RN given for 20(S)-isomer; structure given in first source
ml347ML347: an ALK2 inhibitor; structure in first source
gnaphalingnaphalin: a lipophilic flavonol from Helichrysum sp.; structure in first source
1-(4-(3-bromophenoxy)butyl)-1h-imidazole1-(4-(3-bromophenoxy)butyl)-1H-imidazole: structure in first source
myrtucommulone amyrtucommulone A: from the leaves of myrtle, Myrtus communis (Myrtaceae); structure in first sourcearomatic ketone
an2728crisaborole : A member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults.

crisaborole: NSAID, Dermatologic Agent; structure in first source
aromatic ether;
benzoxaborole;
nitrile
antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide: a protein kinase inhibitor; structure in first source
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-carboxamidemerestinib: in phase I clinical trials (2013); structure in first source
thiopental sodiumorganochlorine compound;
piperazines;
pyrimidines
antineoplastic agent;
tyrosine kinase inhibitor
EG00229benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes
angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist
pf 3644022
ribociclibribociclib: inhibits both CDK4 and CDK6
oclacitinib
yk 4-279YK 4-279: an antineoplastic agent that inhibits EWS-FLI1 oncoprotein; structure in first sourcearomatic ketone
LSM-2536piperazines
Mps1-IN-2piperidines
mk-80331-(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-nb142-70kb-NB142-70: inhibitor of protein kinase D; structure in first source
mephedronemephedrone : 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-lskepinone-L: a dibenzosuberone-type p38 MAPK inhibitor; structure in first source
sofosbuvirsofosbuvir : A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.

Sofosbuvir: A uridine monophosphate analog inhibitor of HEPATITIS C VIRUS (HCV) polymerase NS5B that is used as an ANTIVIRAL AGENT in the treatment of CHRONIC HEPATITIS C.
isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester
antiviral drug;
hepatitis C protease inhibitor;
prodrug
bay 1000394roniciclib: an antineoplastic agent that inhibits cyclin-dependent kinases; structure in first source
3-(6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenol3-(6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenol: inhibits ALK2 protein; structure in first source
blz 945
pha 793887piperidinecarboxamide
abt-348ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source
mk-3102pyrrolopyrazole
tak-632TAK-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
ly2784544pyridazines
gsk 2334470GSK 2334470: a PDK1 inhibitor; structure in first sourceindazoles
sb 1518
abemaciclib
mk-8776
nvp-bsk805
gsk299423GSK299423: structure in first source
afuresertibamphetamines
xmd 8-92XMD8-92 : 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.pyrimidobenzodiazepineprotein kinase inhibitor
hh-gv678flumatinib: an antineoplastic agent and tyrosine kinase inhibitor
gsk143GSK143: a Syk kinase inhibitor; structure in first source
3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1h-imidazol-2-yl)methyl)benzamide3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-imidazol-2-yl)methyl)benzamide: a selective activin receptor-like kinase-5 inhibitor
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
abt 116ABT 116: a TRPV1 antagonist with analgesic activity; structure in first source
unc 03217-(2-(2-(dimethylamino)ethoxy)ethoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine: a G9a antagonist; structure in first sourcequinazolines
jq1 compoundcarboxylic 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
oleoylcarnitine(R)-oleoylcarnitine : An O-acyl-L-carnitine in which the acyl group is specified as oleoyl.

oleoylcarnitine: adenine nucleotide translocase antagonist; RN given refers to (Z)-(+-)-isomer
monounsaturated fatty acyl-L-carnitineglycine transporter 2 inhibitor;
human metabolite
rn486RN486: a selective Bruton's tyrosine kinase inhibitor
jnj38877605quinolines
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamidebenzothiazoles
dinaciclibpyrazolopyrimidine
(5-bromo-3-pyridinyl)-[4-(1-pyrrolidinyl)-1-piperidinyl]methanonearomatic carboxylic acid;
pyridinemonocarboxylic acid
gdc-0152GDC-0152: structure in first source
nms p937NMS P937: a polo-like kinase 1 inhibitor; structure in first source
gilteritinibgilteritinib : 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
alectinibaromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
glpg0634
birinapantbirinapant: a Smac mimetic with antineoplastic activitydipeptide
nms-p118NMS-P118: a PARP-1 inhibitor; structure in first source
tubastatin ahydroxamic 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)ureaureas
pracinostatpracinostat : 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
physalin fphysalin 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
n,n-diallyl-5-methoxytryptamineN,N-diallyl-5-methoxytryptamine: structure in first sourcetryptamines
delgocitinibdelgocitinib : 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
encorafenibencorafenib: a BRAF inhibitor
bms-911543N,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
DMH1DMH1 : 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
gsk2141795GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source
torin 2torin 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
gsk1210151aGSK1210151A: inhibitor of the BET family of proteins; structure in first sourceimidazoquinoline
i-bet726
azd8186
nvp-cgm097NVP-CGM097: an MDM2 and HDM2 inhibitor; structure in first source
bix 02565
cx 5011
acy-1215ricolinostat: an HDAC6 inhibitor; structure in first sourcepyrimidinecarboxylic acid
pf 956980PF 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
incb039110INCB039110: a JAK1 inhibitor; structure in first source
chir 98014aminopyrimidine;
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
7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine7-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
cudc-907
ascorbic acidAscorbic 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
raltegravir1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide
antiviral drug;
HIV-1 integrase inhibitor
novobiocinnovobiocin : 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
tetracyclinetetracycline : 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.
chlortetracyclinechlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.

Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution.
dicumarolDicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)-3-quinolinecarboxamidearomatic amide
4-hydroxy-2-oxo-1-propyl-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamidearomatic amide;
quinolines
lfm a13LFM-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 acidrobustic acid: structure in first sourceisoflavonoid;
organic hydroxy compound
mobicmeloxicam : 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
mobiflextenoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries.heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
isoxicamisoxicam : A monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome.benzothiazine;
isoxazoles;
monocarboxylic acid amide
antirheumatic drug;
non-steroidal anti-inflammatory drug
6-o-palmitoylascorbic acidfatty acid ester
4-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-2-onehydroxycoumarin
clorobiocinclorobiocin: chlorine-containing antibiotic related to novobiocin
a 769662biphenyls
eravacyclineeravacycline: has antibacterial activitytetracyclines
palinurinpalinurin: an NSAID with antibacterial activity; isolated from Ircinia species; structure in firs t source
pf 9184
urmc-099URMC-099: inhibits mixed lineage kinase 3
ew-7197vactosertib: a TGF-beta type I receptor kinase inhibitor with antifibrotic and antineoplastic activities; structure in first source
abt-333dasabuvir : A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.

dasabuvir: an antiviral agent
aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide
antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor
on123300ON123300: a protein kinase inhibitor; structure in first source
byl719proline derivative
rpx7009RPX7009: a beta-lactamase inhibitor; structure in first source
rgfp966
rg2833RG2833: a histone deacetylase inhibitor; structure in first source
ent-crizotinibent-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
11-o-galloylbergenin11-O-galloylbergenin: analgesic and anti-inflammatory; structure in first source
GS-443902GS-441524 triphosphate: intracellular active metabolite of remdesivir

GS-443902 : An organic triphosphate that is GS-441524 in which the 5'-hydroxy group has been replaced by a triphosphate group. It is the active metabolite of remdesivir.
aromatic amine;
C-nucleoside;
nitrile;
organic triphosphate;
pyrrolotriazine
anticoronaviral agent;
antiviral drug;
drug metabolite
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
mk-8825
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acidorganonitrogen heterocyclic compound
ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylateethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: structure in first source
mi-192MI-192: histone deacetylase 2 and 3 inhibitor; structure in first source
LimKi 3LimKi 3 : A member of the class of pyrazoles that is 1-(2,6-dichlorophenyl)-1H-pyrazole which is substituted by a difluoromethyl group at position 3 and by a 2-(isobutyrylamino)-1,3-thiazol-5-yl group at position 5. It is a a potent cell-permeable inhibitor of LIM kinase 1 and 2.

LIMKi3: LIMK inhibitor
1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide
LIM kinase inhibitor
cep-28122CEP-28122: inhibits anaplastic lymphoma kinase; structure in first source
pinophilin bpinophilin B: from cultures of a fungus (Penicillium pinophilum Hedgcok) derived from a seaweed; structure in first source
rociletinibrociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source
cep 33779
jy-1-106JY-1-106: a BH3 alpha-helix mimetic that functions as a pan-Bcl-2 inhibitor; structure in first source
entecavirbenzamides;
N-acylpiperidine
ceritinibceritinib : 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
d159687
cc-1151-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
HG-10-102-01HG-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
cc-292spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source
vx-509
vx-970berzosertib: an ATR kinase inhibitorsulfonamide
gs-9973
rki-1447RKI-1447: an antineoplastic agent that inhibits ROCK1 and ROCK2; structure in first source
ldn-212854
trv130
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
epz-6438tazemetostat: a histone methyltransferase EZH2 inhibitor with antineoplastic activity
pf-543PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first sourcesulfonamide
ar-12286AR-12286: a Rho kinase inhibitor
vx-787pimodivir: 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
g007-lkG007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source
frax486
gsk-2816126GSK-2816126: inhibits EZH2 methyltransferase; structure in first sourcepiperazines;
pyridines
volitinib
chf6001tanimilast: a phosphodiesterase-4 inhibitor; structure in first source
ajmaline
frax597FRAX597: structure in first source
gsk2830371GSK2830371: inhibits Wip1 phosphatase; structure in first source
acp-196acalabrutinib : 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
gsk343GSK343 : 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
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide: inhibits HDAC6; structure in first source
osimertinibosimertinib : 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
pf-062829992-(6-(5-chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide: a myeloperoxidase inhibitor for treatment of cardiovascular diseases; structure in first source
bmx-in-1BMX-IN-1: a BMX tyrosine kinase inhibitor; structure in first source
ly3009120LY3009120 : 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
gsk-j4GSK-J4: a JMJD3 inhibitor; structure in first sourceorganonitrogen heterocyclic compound
pf-06463922lorlatinib : 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]naphthyridinonenaphthyridine derivative
n-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acidN-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid: inhibits anoctamin-1; structure in first source
wz4003WZ4003: inhibits both NUAK1 and NUAK2; structure in first source
1,2-bis(isothiazol-5-yl)disulfane1,2-bis(isothiazol-5-yl)disulfane: structure in first source
DDR1-IN-1DDR1-IN-1 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 5-(5-amino-2-methylphenoxy)-1,3-dihydro-2H-indol-2-one. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 105 nM and 413 nM, respectively.(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
santacruzamate asantacruzamate A: HDAC2 inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.; structure in first sourceorganonitrogen compound;
organooxygen compound
unc2025UNC2025: inhibits both MER and FLT3 kinases; structure in first source
CCT251545CCT251545 : 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
hth-01-015
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source
PF-06446846PF-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
prn694PRN694: an inhibitor of both interleukin-2-inducible T-cell kinase and resting lymphocyte kinase; structure in first source
sgc707
lly-507LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes.

LLY-507: inhibits methyltransferase SMYD2; structure in first source
aristoforinAristoforin: derivative of hyperforin, is a potent anticancer agent; structure in first source
cycloviolacin o2
MZ1organic molecular entity
psma-617PSMA-617: inhibits prostate-specific membrane antigen; structure in first source
bix 02188BIX 02188: a MEK5 inhibitor; structure in first source
at 9283
otssp167OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity
akt-i-1,2 compoundAkt-I-1,2 compound: an aminopeptidase P inhibitor; structure in first source
chir 258
r 1530
acycloviracyclovir : 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
stf 083010STF 083010: inhibits Ire1 endonuclease; structure in first source
osi 027OSI 027: inhibits both mTORC1 and mTORC2; structure in first source
((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
cyclic gmp3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.

Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed)
3',5'-cyclic purine nucleotide;
guanyl ribonucleotide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
dihydrofolatedihydrofolic acid : A folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division and is targeted by various drugs to prevent nucleic acid synthesis.dihydrofolic acidsEscherichia coli metabolite;
mouse metabolite
guanosine diphosphateGuanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety.guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
inosinic acidInosine 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
folic acidfolcysteine: 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
rifampinRifampin: 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
clozapineclozapine : 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
sildenafilsildenafil : 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
olanzapineolanzapine : 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
zaprinastzaprinast: anaphylaxis inhibitor; structuretriazolopyrimidines
vardenafilvardenafil : 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
kf38789KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source
2-methyl-4(3h)-quinazolinone2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source
ro 3306RO 3306: structure in first source
Imidazosagatriazinonepyrazolopyrimidine
n-(4(n-((2-amino-4-hydroxy-6-quinazolinyl)methyl)prop-2-ynylamino)benzoyl)-l-glutamic acid
azaguanine8-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
hemateinhematein : 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
thiolactomycinthiolactomycin: from actinomycetes; structure given in first source
1843u891843U89: structure given in first source; a folate analog
5,11-methenyltetrahydrohomofolate
4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl esteramidobenzoic acid
4-hydroxyquinazoline4-oxo-3,4-dihydroquinazoline: structure in first sourcequinazolines
omega-n-allylarginineomega-N-allylarginine: inhibitor of nitric oxide synthase; structure given in first source
bl 4162aanagrelide : A 1,5-dihydroimidazo[2,1-]quinazoline having an oxo substituent at the 2-position and chloro substituents at the 6- and 7-positions.

anagrelide: imidazoquinazoline derivative which lowers platelet count probably by inhibiting thrombopoiesis and reduces platelet aggregation; used for thrombocythemia; structure in first source
imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
2-styrylquinazolin-4(3h)-one2-styrylquinazolin-4(3H)-one: structure given in first source
1,5-dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3h)-one1,5-dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one: a potent inhibitor of platelet aggregation
pemetrexedpemetrexed 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
quininibquininib : A styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3

quininib: has antiangiogenic activity; structure in first source
phenols;
styrylquinoline
angiogenesis inhibitor
phthivazide
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quinazolin-4-onequinazolines
pelrinonepelrinone: structure given in first source
lometrexollometrexol: RN & structure given in first source;
sildenafil citratesildenafil citrate : The citrate salt of sildenafil.

Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.
citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
tegaserod maleatemaleate saltserotonergic agonist
hymenialdisine
da 8159udenafil: a pyrazolo-pyrimidinone similar to sildenafil; phosphodiesterase type 5 inhibitor;sulfonamide
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamidequinazolines
1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)ureaquinazolines
quazinone
isogranulatimideisogranulatimide: G2 checkpoint inhibitor; structure in first source
xav939XAV939 : 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
2-carboxyarabinitol 1-phosphate
sb-590885N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine
hesperadin
nintedanibnintedanib : 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.
2-amino-6-hydroxy-8-mercaptopurine
N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamidequinazolines
2-(4-methoxyphenyl)-1H-quinazolin-4-onequinazolines
lixazinonelixazinone: structure given in first source
cnb 001
asoxime chloride
5,6,7,8-tetrahydrofolic acidtetrahydrofolate : A folate obtained by deprotonation of any tetrahydrofolic acid.

tetrahydrofolic acid : A group of heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid units.
tetrahydrofolic acidSaccharomyces cerevisiae metabolite
amg531
2-[(dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]onequinazolines
debromohymenialdisine
t16ainh-a01T16AInh-A01: a TMEM16A inhibitor
galloflavingalloflavin: structure in first source
hydrazinocurcuminhydrazinocurcumin : 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
alpha-cyclopiazonic acidalpha-cyclopiazonic acids
sk&f 962312-(2-propoxyphenyl)-6-purinone: selective phosphodiesterase II inhibitor
bay 73-6691BAY 73-6691: potent and selective inhibitor of phosphodiesterase 9; structure in first source
nbi 31772NBI 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
6-((3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidin-4-one
XL413XL413 : 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
bmn 673talazoparib: inhibits both PARP1 and PARP2; structure in first source
pf-477736PF 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 80-6946copanlisib : 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
pp242torkinib : 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
thiamet g
nms-e973NMS-E973: structure in first source
n-(3-((2-hydroxynaphthalen-1-ylmethylene)amino)phenyl)-2-phenylpropionamide
bix 02189
crt 0066101CRT 0066101: protein kinase D inhibitor with antineoplastic activity
nvp-tnks656
ARS-1620ARS-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
quinazolinesantineoplastic agent;
antiviral agent;
inhibitor