Page last updated: 2024-10-24

extracellular exosome

Definition

Target type: cellularcomponent

A vesicle that is released into the extracellular region by fusion of the limiting endosomal membrane of a multivesicular body with the plasma membrane. Extracellular exosomes, also simply called exosomes, have a diameter of about 40-100 nm. [GOC:BHF, GOC:mah, GOC:vesicles, PMID:15908444, PMID:17641064, PMID:19442504, PMID:19498381, PMID:22418571, PMID:24009894]

Extracellular exosomes are nanoscale vesicles released by cells into the extracellular environment. Their cellular component is a complex structure consisting of a lipid bilayer membrane encasing a variety of molecular cargo, including proteins, lipids, nucleic acids (DNA, RNA), and metabolites. The lipid bilayer membrane, similar to the plasma membrane of the cell, is composed of phospholipids, cholesterol, and glycosphingolipids. These lipids provide structural integrity and create a barrier to the external environment. The membrane is also studded with various transmembrane proteins, including tetraspanins (CD9, CD63, CD81), integrins, and heat shock proteins, which contribute to exosome biogenesis, trafficking, and interactions with target cells. The interior of the exosome, known as the lumen, houses the molecular cargo. This cargo can be derived from the cell's cytoplasm, endoplasmic reticulum, or Golgi apparatus. The specific composition of the cargo varies depending on the cell of origin and its physiological state. Exosomes can be internalized by recipient cells, delivering their cargo and influencing the recipient's cellular processes. The diverse molecular composition and dynamic interactions with target cells make extracellular exosomes crucial mediators of intercellular communication and play a vital role in various biological processes, including immune modulation, cell-cell signaling, and disease progression.'
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Proteins (555)

ProteinDefinitionTaxonomy
Peptidyl-prolyl cis-trans isomerase FKBP1A[no definition available]Bos taurus (cattle)
Peptidyl-prolyl cis-trans isomerase A A peptidyl-prolyl cis-trans isomerase A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62937]Homo sapiens (human)
Protein Wnt-3aA protein Wnt-3a that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56704]Homo sapiens (human)
Proto-oncogene Wnt-3A proto-oncogene Wnt-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56703]Homo sapiens (human)
Leukocyte surface antigen CD47A CD47 molecule that is encoded in the genome of human. [PRO:JAN, UniProtKB:Q08722]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)
Sodium channel protein type 10 subunit alphaA sodium channel protein type 10 subunit alpha that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9Y5Y9]Homo sapiens (human)
Serine/threonine-protein kinase MRCK betaA serine/threonine-protein kinase MRCK beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y5S2]Homo sapiens (human)
Matrix metalloproteinase-24A matrix metalloproteinase-24 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y5R2]Homo sapiens (human)
Thyroid hormone receptor-associated protein 3A thyroid hormone receptor-associated protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2W1]Homo sapiens (human)
Protein-arginine deiminase type-2A protein-arginine deiminase type-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2J8]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)
RuvB-like 1A RuvB-like 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y265]Homo sapiens (human)
Phospholipase A-2-activating proteinA phospholipase A-2-activating protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y263]Homo sapiens (human)
RuvB-like 2A RuvB-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y230]Homo sapiens (human)
ALK tyrosine kinase receptorAn ALK tyrosine kinase receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9UM73]Homo sapiens (human)
Protein argonaute-2A protein argonaute-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKV8]Homo sapiens (human)
Unconventional myosin-XVA myosin-XV that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKN7]Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP4A protein mono-ADP-ribosyltransferase PARP4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKK3]Homo sapiens (human)
TRAF2 and NCK-interacting protein kinaseA TRAF2 and NCK-interacting protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKE5]Homo sapiens (human)
Potassium voltage-gated channel subfamily G member 2A voltage-gated potassium channel KCNG2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UJ96]Homo sapiens (human)
Sodium channel protein type 11 subunit alphaA sodium channel protein type 11 subunit alpha that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9UI33]Homo sapiens (human)
Dipeptidyl peptidase 2A dipeptidyl peptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UHL4]Homo sapiens (human)
Solute carrier family 23 member 1A solute carrier family 23 member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UHI7]Homo sapiens (human)
Cathepsin FA cathepsin F that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBX1]Homo sapiens (human)
Cathepsin ZA cathepsin Z that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBR2]Homo sapiens (human)
Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrialA succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9P2R7]Homo sapiens (human)
Serine/threonine-protein kinase 26A serine/threonine-protein kinase 26 that is encoded in the genome of human. [PRO:WCB]Homo sapiens (human)
Programmed cell death 1 ligand 1A programmed cell death 1 ligand 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9NZQ7]Homo sapiens (human)
Rho guanine nucleotide exchange factor 12A Rho guanine nucleotide exchange factor 12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NZN5]Homo sapiens (human)
Endoplasmic reticulum aminopeptidase 1An endoplasmic reticulum aminopeptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NZ08]Homo sapiens (human)
Dipeptidyl peptidase 3A dipeptidyl peptidase 3 (human), isoforms 1, 2, and 4. [PRO:DNx, UniProtKB:Q9NY33]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)
Sodium- and chloride-dependent GABA transporter 2A sodium- and chloride-dependent GABA transporter 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NSD5]Homo sapiens (human)
Solute carrier family 22 member 11A solute carrier family 22 member 11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NSA0]Homo sapiens (human)
14 kDa phosphohistidine phosphataseA 14 kDa phosphohistidine phosphatase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRX4]Homo sapiens (human)
Xaa-Pro aminopeptidase 1An Xaa-Pro aminopeptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NQW7]Homo sapiens (human)
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1A 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NQ66]Homo sapiens (human)
Platelet glycoprotein VIA platelet glycoprotein VI that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9HCN6]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)
Aminopeptidase BAn aminopeptidase B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H4A4]Homo sapiens (human)
STE20-like serine/threonine-protein kinase A STE20-like serine/threonine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2G2]Homo sapiens (human)
N-alpha-acetyltransferase 50An N-alpha-acetyltransferase 50 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9GZZ1]Homo sapiens (human)
Angiotensin-converting enzyme 2 An angiotensin-converting enzyme 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BYF1]Homo sapiens (human)
Tubulin beta-6 chainA tubulin beta-6 chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BUF5]Homo sapiens (human)
MyocilinA myocilin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99972]Homo sapiens (human)
Smoothened homologA protein smoothened that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99835]Homo sapiens (human)
P2X purinoceptor 4A P2X purinoceptor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99571]Homo sapiens (human)
Synaptic vesicle membrane protein VAT-1 homologA synaptic vesicle membrane protein VAT-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99536]Homo sapiens (human)
Sialidase-1A sialidase-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99519]Homo sapiens (human)
Solute carrier family 22 member 12A solute carrier family 22 member 12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96S37]Homo sapiens (human)
Lysyl oxidase homolog 4A lysyl oxidase homolog 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96JB6]Homo sapiens (human)
ATP-binding cassette sub-family C member 11An ATP-binding cassette sub-family C member 11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96J66]Homo sapiens (human)
Carboxypeptidase B2A carboxypeptidase B2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96IY4]Homo sapiens (human)
Thialysine N-epsilon-acetyltransferaseA thialysine N-epsilon-acetyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96F10]Homo sapiens (human)
NicastrinA nicastrin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92542]Homo sapiens (human)
Solute carrier family 13 member 3A Na(+)/dicarboxylate cotransporter 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WWT9]Homo sapiens (human)
Scavenger receptor class B member 1A scavenger receptor class B member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WTV0]Homo sapiens (human)
Signal peptide peptidase-like 2AA signal peptide peptidase-like 2A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TCT8]Homo sapiens (human)
Solute carrier family 22 member 8An organic anion transporter 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TCC7]Homo sapiens (human)
Phosphatidylinositol 5-phosphate 4-kinase type-2 gammaA phosphatidylinositol 5-phosphate 4-kinase type-2 gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TBX8]Homo sapiens (human)
Proteasome subunit alpha-type 8A proteasome subunit alpha-type 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TAA3]Homo sapiens (human)
Misshapen-like kinase 1A misshapen-like kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N4C8]Homo sapiens (human)
Secreted frizzled-related protein 1A secreted frizzled-related protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N474]Homo sapiens (human)
5'-3' exonuclease PLD3A 5-3 exonuclease PLD3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IV08]Homo sapiens (human)
Myosin-14A myosin-14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7Z406]Homo sapiens (human)
Serine/threonine-protein kinase TAO1A serine/threonine-protein kinase TAO1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7L7X3]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)
Solute carrier organic anion transporter family member 4C1A solute carrier organic anion transporter family member 4C1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6ZQN7]Homo sapiens (human)
Nicotinate phosphoribosyltransferaseA nicotinate phosphoribosyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6XQN6]Homo sapiens (human)
ATPase family AAA domain-containing protein 2An ATPase family AAA domain-containing protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6PL18]Homo sapiens (human)
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase DAn N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6IQ20]Homo sapiens (human)
Anoctamin-1An anoctamin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5XXA6]Homo sapiens (human)
Serine/threonine-protein kinase MRCK alphaA serine/threonine-protein kinase MRCK alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5VT25]Homo sapiens (human)
Leucine-rich repeat serine/threonine-protein kinase 2A leucine-rich repeat serine/threonine-protein kinase 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q5S007]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)
Putative heat shock protein HSP 90-beta 2A putative heat shock protein HSP 90-beta 2 that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Solute carrier family 22 member 6A solute carrier family 22 member 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q4U2R8]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)
Thioredoxin reductase 1, cytoplasmicA thioredoxin reductase 1, cytoplasmic that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16881]Homo sapiens (human)
Glutaminyl-peptide cyclotransferaseA glutaminyl-peptide cyclotransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16769]Homo sapiens (human)
Alpha-mannosidase 2An alpha-mannosidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16706]Homo sapiens (human)
FascinA fascin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16658]Homo sapiens (human)
Calcium/calmodulin-dependent protein kinase type IVA calcium/calmodulin-dependent protein kinase type IV that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16566]Homo sapiens (human)
DNA damage-binding protein 1A DNA damage-binding protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16531]Homo sapiens (human)
Solute carrier family 15 member 2A solute carrier family 15 member 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16348]Homo sapiens (human)
V-type proton ATPase subunit S1A V-type proton ATPase subunit S1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15904]Homo sapiens (human)
NEDD8A NEDD8 protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15843]Homo sapiens (human)
Serine/threonine-protein kinase STK11A serine/threonine-protein kinase STK11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15831]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)
GTP-binding protein RhebA GTP-binding protein Rheb that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15382]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)
Protein disulfide-isomerase A6A protein disulfide-isomerase A6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15084]Homo sapiens (human)
Neutral alpha-glucosidase ABA neutral alpha-glucosidase AB that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14697]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 3A polypeptide N-acetylgalactosaminyltransferase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14435]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)
Bleomycin hydrolaseA bleomycin hydrolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13867]Homo sapiens (human)
Acid ceramidaseAn acid ceramidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13510]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)
Peptidyl-prolyl cis-trans isomerase FKBP5A peptidyl-prolyl cis-trans isomerase FKBP5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13451]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)
Receptor-type tyrosine-protein phosphatase SA receptor-type tyrosine-protein phosphatase S that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13332]Homo sapiens (human)
26S proteasome non-ATPase regulatory subunit 2A 26S proteasome non-ATPase regulatory subunit 2 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
S-methyl-5'-thioadenosine phosphorylaseAn S-methyl-5-thioadenosine phosphorylase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13126]Homo sapiens (human)
Tyrosine-protein phosphatase non-receptor type 13A tyrosine-protein phosphatase non-receptor type 13 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12923]Homo sapiens (human)
Receptor-type tyrosine-protein phosphatase etaA receptor-type tyrosine-protein phosphatase eta that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q12913]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)
Hyaluronidase-1A hyaluronidase-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12794]Homo sapiens (human)
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1A CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q11201]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)
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)
Quinone oxidoreductaseA quinone oxidoreductase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q08257]Homo sapiens (human)
Apoptosis regulator BAX An apoptosis regulator BAX that is encoded in the genome of human. [PRO:SY, UniProtKB:Q07812]Homo sapiens (human)
Glutamyl aminopeptidaseA glutamyl aminopeptidase that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q07075]Homo sapiens (human)
Peroxiredoxin-1A peroxiredoxin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q06830]Homo sapiens (human)
Aldehyde oxidaseAn aldehyde oxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q06278]Homo sapiens (human)
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1A glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q06210]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)
Dynamin-1A dynamin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05193]Homo sapiens (human)
14-3-3 protein etaA 14-3-3 protein eta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04917]Homo sapiens (human)
Aldo-keto reductase family 1 member C1An aldo-keto reductase family 1 member C1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04828]Homo sapiens (human)
Lactoylglutathione lyaseA lactoylglutathione lyase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04760]Homo sapiens (human)
Glutamate carboxypeptidase 2A glutamate carboxypeptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04609]Homo sapiens (human)
Peptidyl-prolyl cis-trans isomerase FKBP4A peptidyl-prolyl cis-trans isomerase FKBP4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q02790]Homo sapiens (human)
N-acylethanolamine-hydrolyzing acid amidaseAn N-acylethanolamine-hydrolyzing acid amidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q02083]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)
Large neutral amino acids transporter small subunit 1A large neutral amino acids transporter small subunit 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01650]Homo sapiens (human)
Fatty acid-binding protein 5A fatty acid-binding protein 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01469]Homo sapiens (human)
Sorbitol dehydrogenaseA sorbitol dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00796]Homo sapiens (human)
Cyclin-dependent kinase-like 1A cyclin-dependent kinase-like 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00532]Homo sapiens (human)
ADP-ribosylation factor 1An ADP-ribosylation factor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P84077]Homo sapiens (human)
60S ribosomal protein L24A large ribosomal subunit protein eL24 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P83731]Homo sapiens (human)
Glutathione S-transferase omega-1A glutathione S-transferase omega-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P78417]Homo sapiens (human)
Platelet-activating factor acetylhydrolase IB subunit alpha2A platelet-activating factor acetylhydrolase IB subunit alpha2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P68402]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)
14-3-3 protein zeta/deltaA 14-3-3 protein zeta/delta that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Ras-related C3 botulinum toxin substrate 1A Ras-related C3 botulinum toxin substrate 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P63000]Homo sapiens (human)
Growth factor receptor-bound protein 2A growth factor receptor-bound protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62993]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)
Peptidyl-prolyl cis-trans isomerase A A peptidyl-prolyl cis-trans isomerase A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62937]Homo sapiens (human)
60S ribosomal protein L11A eukaryotic-type large ribosomal subunit protein uL5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62913]Homo sapiens (human)
60S ribosomal protein L10aA eukaryotic-type large ribosomal subunit protein uL1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62906]Homo sapiens (human)
60S ribosomal protein L31A large ribosomal subunit protein eL31 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62899]Homo sapiens (human)
60S ribosomal protein L30A large ribosomal subunit protein eL30 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62888]Homo sapiens (human)
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1A guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62873]Homo sapiens (human)
40S ribosomal protein S28A small ribosomal subunit protein eS28 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62857]Homo sapiens (human)
40S ribosomal protein S26A small ribosomal subunit protein eS26 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62854]Homo sapiens (human)
40S ribosomal protein S25A small ribosomal subunit protein eS25 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62851]Homo sapiens (human)
60S ribosomal protein L23A eukaryotic-type large ribosomal subunit protein uL14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62829]Homo sapiens (human)
GTP-binding nuclear protein RanA GTP-binding nuclear protein Ran that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62826]Homo sapiens (human)
60S ribosomal protein L23aA eukaryotic-type large ribosomal subunit protein uL23 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62750]Homo sapiens (human)
40S ribosomal protein S4, X isoformA small ribosomal subunit protein eS4, X isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62701]Homo sapiens (human)
26S proteasome regulatory subunit 10BA 26S proteasome regulatory subunit 10B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62333]Homo sapiens (human)
40S ribosomal protein S11A eukaryotic-type small ribosomal subunit protein uS17 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62280]Homo sapiens (human)
40S ribosomal protein S13A eukaryotic-type small ribosomal subunit protein uS15 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62277]Homo sapiens (human)
40S ribosomal protein S29A eukaryotic-type small ribosomal subunit protein uS14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62273]Homo sapiens (human)
40S ribosomal protein S18A eukaryotic-type small ribosomal subunit protein uS13 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62269]Homo sapiens (human)
40S ribosomal protein S14A eukaryotic-type small ribosomal subunit protein uS11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62263]Homo sapiens (human)
40S ribosomal protein S16A eukaryotic-type small ribosomal subunit protein uS9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62249]Homo sapiens (human)
40S ribosomal protein S15aA eukaryotic-type small ribosomal subunit protein uS8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62244]Homo sapiens (human)
40S ribosomal protein S8A small ribosomal subunit protein eS8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62241]Homo sapiens (human)
26S proteasome regulatory subunit 8A 26S proteasome regulatory subunit 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62195]Homo sapiens (human)
14-3-3 protein gammaA 14-3-3 protein gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61981]Homo sapiens (human)
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)
Transforming protein RhoAA GTP-binding protein RhoA that is encoded in the genome of human. [PRO:CNA, UniProtKB:P61586]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)
60S ribosomal protein L27A large ribosomal subunit protein eL27 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61353]Homo sapiens (human)
60S ribosomal protein L26A eukaryotic-type large ribosomal subunit protein uL24 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61254]Homo sapiens (human)
40S ribosomal protein S3aA small ribosomal subunit protein eS1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61247]Homo sapiens (human)
Actin-related protein 2An actin-related protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61160]Homo sapiens (human)
Actin-related protein 3An actin-related protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61158]Homo sapiens (human)
C-X-C chemokine receptor type 4A C-X-C chemokine receptor type 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P61073]Homo sapiens (human)
Ras-related protein Rab-10A Ras-related protein Rab-10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61026]Homo sapiens (human)
Ras-related protein Rab-2AA Ras-related protein Rab-2A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61019]Homo sapiens (human)
Cell division control protein 42 homologA cell division control protein 42 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P60953]Homo sapiens (human)
Protein S100-A10A protein S100-A10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P60903]Homo sapiens (human)
Proteasome subunit alpha type-6A proteasome subunit alpha type-6 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
40S ribosomal protein S20A eukaryotic-type small ribosomal subunit protein uS10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P60866]Homo sapiens (human)
Eukaryotic initiation factor 4A-IA eukaryotic initiation factor 4A-I that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Triosephosphate isomeraseA triosephosphate isomerase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P60174]Homo sapiens (human)
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2A guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P59768]Homo sapiens (human)
Gem-associated protein 4A gem-associated protein 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P57678]Homo sapiens (human)
Protein Wnt-3aA protein Wnt-3a that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56704]Homo sapiens (human)
Proto-oncogene Wnt-3A proto-oncogene Wnt-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56703]Homo sapiens (human)
Puromycin-sensitive aminopeptidaseA puromycin-sensitive aminopeptidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P55786]Homo sapiens (human)
Transitional endoplasmic reticulum ATPaseA transitional endoplasmic reticulum ATPase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P55072]Homo sapiens (human)
Solute carrier family 12 member 2A solute carrier family 12 member 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P55011]Homo sapiens (human)
Adenylate kinase 2, mitochondrialAn adenylate kinase 2, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54819]Homo sapiens (human)
Ephrin type-B receptor 1An ephrin type-B receptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54762]Homo sapiens (human)
Ephrin type-B receptor 4An ephrin type-B receptor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54760]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit gammaA sodium/potassium-transporting ATPase subunit gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54710]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit beta-3A sodium/potassium-transporting ATPase subunit beta-3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P54709]Homo sapiens (human)
Heat shock-related 70 kDa protein 2A heat shock-related 70 kDa protein 2 that is encoded in the genome of human. [PRO:DAN]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)
Monocarboxylate transporter 1A monocarboxylate transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53985]Homo sapiens (human)
Dipeptidyl peptidase 1A dipeptidyl peptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53634]Homo sapiens (human)
ATP-citrate synthaseAn ATP-citrate synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53396]Homo sapiens (human)
Spermine synthaseA spermine synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P52788]Homo sapiens (human)
6-phosphogluconate dehydrogenase, decarboxylatingA 6-phosphogluconate dehydrogenase, decarboxylating that is encoded in the genome of human. [PRO:DNx, UniProtKB:P52209]Homo sapiens (human)
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT6A 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51993]Homo sapiens (human)
26S proteasome non-ATPase regulatory subunit 7A 26S proteasome non-ATPase regulatory subunit 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51665]Homo sapiens (human)
Cytochrome P450 2J2A cytochrome P450 2J2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51589]Homo sapiens (human)
GalactokinaseA galactokinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51570]Homo sapiens (human)
Ras-related protein Rab-27AA Ras-related protein Rab-27A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51159]Homo sapiens (human)
Ras-related protein Rab-7aA Ras-related protein Rab-7a that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51149]Homo sapiens (human)
60S ribosomal protein L14A large ribosomal subunit protein eL14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50914]Homo sapiens (human)
Dynamin-2A dynamin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50570]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)
Histamine N-methyltransferaseA histamine N-methyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50135]Homo sapiens (human)
Ectonucleoside triphosphate diphosphohydrolase 1An ectonucleoside triphosphate diphosphohydrolase 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P49961]Homo sapiens (human)
Histidine triad nucleotide-binding protein 1An adenosine 5-monophosphoramidase HINT1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49773]Homo sapiens (human)
Proteasome subunit beta type-2A proteasome subunit beta type-2 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Proteasome subunit beta type-3A proteasome subunit beta type-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49720]Homo sapiens (human)
Elongation factor Tu, mitochondrialAn elongation factor Tu, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49411]Homo sapiens (human)
Fatty acid synthaseA fatty acid synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49327]Homo sapiens (human)
60S ribosomal protein L34A large ribosomal subunit protein eL34 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49207]Homo sapiens (human)
MAP kinase-activated protein kinase 2A MAP kinase-activated protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49137]Homo sapiens (human)
Sodium/hydrogen exchanger 3A sodium/hydrogen exchanger 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48764]Homo sapiens (human)
Isocitrate dehydrogenase [NADP], mitochondrialAn isocitrate dehydrogenase [NADP], mitochondrial that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Stromal cell-derived factor 1A stromal cell-derived factor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48061]Homo sapiens (human)
Galectin-7A galectin-7 that is encoded in the genome of human. [PRO:DAN, UniProtKB:P47929]Homo sapiens (human)
Aldehyde dehydrogenase family 1 member A3A retinaldehyde dehydrogenase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P47895]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit beta-2A gamma-aminobutyric acid receptor subunit beta-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P47870]Homo sapiens (human)
UtrophinA utrophin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46939]Homo sapiens (human)
40S ribosomal protein S5A eukaryotic-type small ribosomal subunit protein uS7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46782]Homo sapiens (human)
40S ribosomal protein S9A eukaryotic-type small ribosomal subunit protein uS4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46781]Homo sapiens (human)
60S ribosomal protein L28A large ribosomal subunit protein eL28 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46779]Homo sapiens (human)
60S ribosomal protein L5A eukaryotic-type large ribosomal subunit protein uL18 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46777]Homo sapiens (human)
Nicotinamide phosphoribosyltransferaseA nicotinamide phosphoribosyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43490]Homo sapiens (human)
Neutral amino acid transporter AA neutral amino acid transporter A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43007]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)
Endothelin-converting enzyme 1An endothelin-converting enzyme 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42892]Homo sapiens (human)
Lysosomal Pro-X carboxypeptidaseA lysosomal Pro-X carboxypeptidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42785]Homo sapiens (human)
Tyrosine-protein kinase FRKA tyrosine-protein kinase FRK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42685]Homo sapiens (human)
Phosphatidylinositol 4-kinase alphaA phosphatidylinositol 4-kinase alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42356]Homo sapiens (human)
Aldo-keto reductase family 1 member C3An aldo-keto reductase family 1 member C3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42330]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)
Glycine--tRNA ligaseA glycine--tRNA ligase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41250]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)
Malate dehydrogenase, mitochondrialA malate dehydrogenase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P40926]Homo sapiens (human)
Malate dehydrogenase, cytoplasmicA malate dehydrogenase, cytoplasmic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P40925]Homo sapiens (human)
Interleukin-6 receptor subunit betaAn interleukin-6 receptor subunit beta that is encoded in the genome of human. [PRO:WCB, UniProtKB:P40189]Homo sapiens (human)
60S ribosomal protein L3A eukaryotic-type large ribosomal subunit protein uL3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P39023]Homo sapiens (human)
40S ribosomal protein S19A small ribosomal subunit protein eS19 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P39019]Homo sapiens (human)
Stress-70 protein, mitochondrialA stress-70 protein, mitochondrial that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Amiloride-sensitive sodium channel subunit alphaAn amiloride-sensitive sodium channel subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37088]Homo sapiens (human)
Phospholipid hydroperoxide glutathione peroxidaseA phospholipid hydroperoxide glutathione peroxidase GPX4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36969]Homo sapiens (human)
60S ribosomal protein L4A eukaryotic-type large ribosomal subunit protein uL4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36578]Homo sapiens (human)
Myosin-10A myosin-10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35580]Homo sapiens (human)
Myosin-9A myosin-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35579]Homo sapiens (human)
Sepiapterin reductaseA sepiapterin reductase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35270]Homo sapiens (human)
60S ribosomal protein L22A large ribosomal subunit protein eL22 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35268]Homo sapiens (human)
Catenin beta-1A catenin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35222]Homo sapiens (human)
Mannose-6-phosphate isomeraseA mannose-6-phosphate isomerase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P34949]Homo sapiens (human)
Bifunctional epoxide hydrolase 2An epoxide hydrolase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P34913]Homo sapiens (human)
Serine hydroxymethyltransferase, mitochondrialA serine hydroxymethyltransferase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P34897]Homo sapiens (human)
Serine hydroxymethyltransferase, cytosolicA serine hydroxymethyltransferase, cytosolic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P34896]Homo sapiens (human)
Multidrug resistance-associated protein 1 A multidrug resistance-associated protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P33527]Homo sapiens (human)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrialA deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P33316]Homo sapiens (human)
Cystathionine gamma-lyaseA cystathionine gamma-lyase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32929]Homo sapiens (human)
4-hydroxyphenylpyruvate dioxygenaseA 4-hydroxyphenylpyruvate dioxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32754]Homo sapiens (human)
14-3-3 protein beta/alphaA 14-3-3 protein beta/alpha that is encoded in the genome of human. [PRO:WCB, UniProtKB:P31946]Homo sapiens (human)
Bifunctional purine biosynthesis protein ATICA bifunctional purine biosynthesis protein ATIC that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31939]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)
Sodium/glucose cotransporter 2A sodium/glucose cotransporter 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31639]Homo sapiens (human)
Pyruvate kinase PKLRA pyruvate kinase PKLR that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30613]Homo sapiens (human)
Translocator protein[no definition available]Homo sapiens (human)
Tyrosine-protein kinase receptor UFOA tyrosine-protein kinase receptor UFO that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30530]Homo sapiens (human)
Adenylosuccinate synthetase isozyme 2An adenylosuccinate synthetase isozyme 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30520]Homo sapiens (human)
Phosphatidylethanolamine-binding protein 1A phosphatidylethanolamine-binding protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30086]Homo sapiens (human)
UMP-CMP kinase A UMP-CMP kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30085]Homo sapiens (human)
60S ribosomal protein L12A eukaryotic-type large ribosomal subunit protein uL11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30050]Homo sapiens (human)
Flavin reductase (NADPH)A flavin reductase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30043]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)
Aquaporin-1An aquaporin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29972]Homo sapiens (human)
Non-receptor tyrosine-protein kinase TYK2A non-receptor tyrosine-protein kinase TYK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29597]Homo sapiens (human)
TransketolaseA transketolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29401]Homo sapiens (human)
Cellular retinoic acid-binding protein 2A cellular retinoic acid-binding protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29373]Homo sapiens (human)
Tyrosine-protein phosphatase non-receptor type 6A tyrosine-protein phosphatase non-receptor type 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29350]Homo sapiens (human)
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1An ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P28907]Homo sapiens (human)
Cytosol aminopeptidaseA cytosol aminopeptidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28838]Homo sapiens (human)
Alcohol dehydrogenase 6An alcohol dehydrogenase 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28332]Homo sapiens (human)
Glutathione S-transferase Mu 2A glutathione S-transferase mu 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28161]Homo sapiens (human)
Proteasome subunit beta type-5A proteasome subunit beta type-5 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Proteasome subunit beta type-6A proteasome subunit beta type-6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28072]Homo sapiens (human)
Proteasome subunit beta type-4A proteasome subunit beta type-4 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Proteasome subunit alpha type-5A proteasome subunit alpha type-5 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Proteasome subunit beta type-9A proteasome subunit beta type-9 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Proteasome subunit beta type-8A proteasome subunit beta type-8 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
CAD proteinA multifunctional protein CAD that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27708]Homo sapiens (human)
Dipeptidyl peptidase 4A dipeptidyl peptidase 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P27487]Homo sapiens (human)
MAP/microtubule affinity-regulating kinase 3A MAP/microtubule affinity-regulating kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27448]Homo sapiens (human)
14-3-3 protein thetaA 14-3-3 protein theta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27348]Homo sapiens (human)
Serum paraoxonase/arylesterase 1A serum paraoxonase/arylesterase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27169]Homo sapiens (human)
Protein S100-A4A protein S100-A4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26447]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)
Proteasome subunit alpha type-4A proteasome subunit alpha type-4 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Proteasome subunit alpha type-3A proteasome subunit alpha type-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P25788]Homo sapiens (human)
Proteasome subunit alpha type-2A proteasome subunit alpha type-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P25787]Homo sapiens (human)
Proteasome subunit alpha type-1A proteasome subunit alpha type-1 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Deoxyribonuclease-1A deoxyribonuclease-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24855]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)
Low molecular weight phosphotyrosine protein phosphataseA low molecular weight phosphotyrosine protein phosphatase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24666]Homo sapiens (human)
MyeloblastinA myeloblastin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24158]Homo sapiens (human)
AdenosylhomocysteinaseAn adenosylhomocysteinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23526]Homo sapiens (human)
Receptor-type tyrosine-protein phosphatase gammaA receptor-type tyrosine-protein phosphatase gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23470]Homo sapiens (human)
40S ribosomal protein S3A eukaryotic-type small ribosomal subunit protein uS3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23396]Homo sapiens (human)
Peptidyl-prolyl cis-trans isomerase BA eukaryotic peptidyl-prolyl cis-trans isomerase B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23284]Homo sapiens (human)
Carbonic anhydrase 6A carbonic anhydrase 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23280]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)
Carbonic anhydrase 4A carbonic anhydrase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22748]Homo sapiens (human)
cAMP-dependent protein kinase catalytic subunit betaA cAMP-dependent protein kinase catalytic subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22694]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)
Ubiquitin-like modifier-activating enzyme 1A ubiquitin-like modifier-activating enzyme 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22314]Homo sapiens (human)
Multifunctional protein ADE2A bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22234]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)
Protein-L-isoaspartate(D-aspartate) O-methyltransferaseA protein-L-isoaspartate(D-aspartate) O-methyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22061]Homo sapiens (human)
Protein-glutamine gamma-glutamyltransferase 2A protein-glutamine gamma-glutamyltransferase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21980]Homo sapiens (human)
Catechol O-methyltransferaseA catechol O-methyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21964]Homo sapiens (human)
Ryanodine receptor 1A ryanodine receptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21817]Homo sapiens (human)
5'-nucleotidaseA 5-nucleotidase that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21589]Homo sapiens (human)
V-type proton ATPase subunit B, brain isoformA V-type proton ATPase subunit B, brain isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21281]Homo sapiens (human)
Aromatic-L-amino-acid decarboxylaseAn aromatic-L-amino-acid decarboxylase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20711]Homo sapiens (human)
Integrin alpha-LAn integrin alpha-L that is encoded in the genome of human. [PRO:CNA, UniProtKB:P20701]Homo sapiens (human)
Proteasome subunit beta type-1A proteasome subunit beta type-1 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Ras-related protein Rab-6AA Ras-related protein Rab-6A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20340]Homo sapiens (human)
Amiloride-sensitive amine oxidase [copper-containing]An amiloride-sensitive amine oxidase [copper-containing] that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19801]Homo sapiens (human)
Sodium/hydrogen exchanger 1A sodium/hydrogen exchanger 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19634]Homo sapiens (human)
Glutathione hydrolase 1 proenzymeA glutathione hydrolase 1 proenzyme that is encoded in the genome of human. [PRO:CNA, UniProtKB:P19440]Homo sapiens (human)
Vascular cell adhesion protein 1A vascular cell adhesion protein 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P19320]Homo sapiens (human)
Peptidyl-glycine alpha-amidating monooxygenaseA peptidyl-glycine alpha-amidating monooxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19021]Homo sapiens (human)
Phosphoglycerate mutase 1A phosphoglycerate mutase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18669]Homo sapiens (human)
Interleukin-1 receptor antagonist proteinAn interleukin-1 receptor antagonist protein that is encoded in the genome of human. [PRO:CNA, UniProtKB:P18510]Homo sapiens (human)
Receptor-type tyrosine-protein phosphatase alphaA receptor-type tyrosine-protein phosphatase alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18433]Homo sapiens (human)
Integrin beta-5An integrin beta-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18084]Homo sapiens (human)
60S ribosomal protein L35aA large ribosomal subunit protein eL33 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18077]Homo sapiens (human)
Insulin-like growth factor-binding protein 2An insulin-like growth factor-binding protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18065]Homo sapiens (human)
Polyunsaturated fatty acid lipoxygenase ALOX12A polyunsaturated fatty acid lipoxygenase ALOX12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18054]Homo sapiens (human)
Galectin-3A galectin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17931]Homo sapiens (human)
Calpain-2 catalytic subunitA calpain-2 catalytic subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17655]Homo sapiens (human)
cAMP-dependent protein kinase catalytic subunit alphaA cAMP-dependent protein kinase catalytic subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17612]Homo sapiens (human)
Aldo-keto reductase family 1 member C4An aldo-keto reductase family 1 member C4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17516]Homo sapiens (human)
Sphingomyelin phosphodiesteraseA sphingomyelin phosphodiesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17405]Homo sapiens (human)
Atrial natriuretic peptide receptor 3An atrial natriuretic peptide receptor 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17342]Homo sapiens (human)
Protein kinase C alpha typeA protein kinase C alpha type that is encoded in the genome of human. [PRO:CL, UniProtKB:P17252]Homo sapiens (human)
Aspartate aminotransferase, cytoplasmicAn aspartate aminotransferase, cytoplasmic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17174]Homo sapiens (human)
Beta-galactosidaseA eukaryotic-type beta-galactosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16278]Homo sapiens (human)
Carbonyl reductase [NADPH] 1A carbonyl reductase [NADPH] 1 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Ribosyldihydronicotinamide dehydrogenase [quinone]A ribosyldihydronicotinamide dehydrogenase [quinone] that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16083]Homo sapiens (human)
CD44 antigenA CD44 molecule that is encoded in the genome of human. [PRO:WCB, UniProtKB:P16070]Homo sapiens (human)
Mucin-1A mucin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P15941]Homo sapiens (human)
40S ribosomal protein S2A eukaryotic-type small ribosomal subunit protein uS5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15880]Homo sapiens (human)
Nucleoside diphosphate kinase AA nucleoside diphosphate kinase A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15531]Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase [NAD(+)]A 15-hydroxyprostaglandin dehydrogenase [NAD(+)] that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15428]Homo sapiens (human)
Folate receptor alphaA folate receptor alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15328]Homo sapiens (human)
EzrinAn ezrin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P15311]Homo sapiens (human)
Aminopeptidase NAn aminopeptidase N that is encoded in the genome of human. [PRO:WCB, UniProtKB:P15144]Homo sapiens (human)
Aldo-keto reductase family 1 member B1An aldo-keto reductase family 1 member B1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15121]Homo sapiens (human)
Glutamine synthetaseA glutamine synthetase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15104]Homo sapiens (human)
Fatty acid-binding protein, adipocyteA fatty acid-binding protein, adipocyte that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15090]Homo sapiens (human)
Matrix metalloproteinase-9A matrix metalloproteinase-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14780]Homo sapiens (human)
Insulin-degrading enzymeAn insulin-degrading enzyme that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14735]Homo sapiens (human)
Solute carrier family 2, facilitated glucose transporter member 4A solute carrier family 2, facilitated glucose transporter member 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14672]Homo sapiens (human)
EndoplasminAn endoplasmin that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Pyruvate kinase PKMA pyruvate kinase PKM that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14618]Homo sapiens (human)
Phospholipase A2, membrane associatedA phospholipase A2, membrane associated that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14555]Homo sapiens (human)
Aldo-keto reductase family 1 member A1An aldo-keto reductase family 1 member A1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14550]Homo sapiens (human)
Sucrase-isomaltase, intestinalA sucrase-isomaltase, intestinal that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14410]Homo sapiens (human)
Carboxypeptidase MA carboxypeptidase M that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14384]Homo sapiens (human)
Macrophage migration inhibitory factorA macrophage migration inhibitory factor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14174]Homo sapiens (human)
Sodium/glucose cotransporter 1A sodium/glucose cotransporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13866]Homo sapiens (human)
cAMP-dependent protein kinase type II-alpha regulatory subunitA cAMP-dependent protein kinase type II-alpha regulatory subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13861]Homo sapiens (human)
Delta-aminolevulinic acid dehydrataseA delta-aminolevulinic acid dehydratase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13716]Homo sapiens (human)
Integrin alpha-4An integrin alpha-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13612]Homo sapiens (human)
Xaa-Pro dipeptidaseAn Xaa-Pro dipeptidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P12955]Homo sapiens (human)
Proto-oncogene tyrosine-protein kinase SrcA proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of human. [PRO:CNA, UniProtKB:P12931]Homo sapiens (human)
Cadherin-1A cadherin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P12830]Homo sapiens (human)
Angiotensin-converting enzyme An angiotensin-converting enzyme that is encoded in the genome of human. [PRO:WCB, UniProtKB:P12821]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)
Proliferating cell nuclear antigenA proliferating cell nuclear antigen that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Alcohol dehydrogenase class-3An alcohol dehydrogenase class-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11766]Homo sapiens (human)
Cholesteryl ester transfer proteinA cholesteryl ester transfer protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11597]Homo sapiens (human)
C-1-tetrahydrofolate synthase, cytoplasmicA C-1-tetrahydrofolate synthase, cytoplasmic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11586]Homo sapiens (human)
Glucose-6-phosphate 1-dehydrogenaseA glucose-6-phosphate 1-dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11413]Homo sapiens (human)
Breakpoint cluster region proteinA breakpoint cluster region protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11274]Homo sapiens (human)
Glycogen phosphorylase, muscle formA glycogen phosphorylase, muscle form that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11217]Homo sapiens (human)
Glycogen phosphorylase, brain formA glycogen phosphorylase, brain form that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11216]Homo sapiens (human)
Solute carrier family 2, facilitated glucose transporter member 3A solute carrier family 2, facilitated glucose transporter member 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11169]Homo sapiens (human)
Solute carrier family 2, facilitated glucose transporter member 1A solute carrier family 2, facilitated glucose transporter member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11166]Homo sapiens (human)
Heat shock cognate 71 kDa proteinA heat shock cognate 71 kDa protein that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Endoplasmic reticulum chaperone BiPAn endoplasmic reticulum chaperone BiP that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
60 kDa heat shock protein, mitochondrialA 60 kDa heat shock protein, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10809]Homo sapiens (human)
Lysosomal protective proteinA lysosomal protective protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10619]Homo sapiens (human)
ThioredoxinA thioredoxin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10599]Homo sapiens (human)
Receptor-type tyrosine-protein phosphatase FA receptor-type tyrosine-protein phosphatase F that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10586]Homo sapiens (human)
Lysosomal alpha-glucosidaseA lysosomal alpha-glucosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10253]Homo sapiens (human)
Alpha-amylase 1A A protein that is a translation product of the AMY1A gene in human. [PRO:DNx, UniProtKB:P0DUB6]Homo sapiens (human)
Heat shock 70 kDa protein 1A A heat shock 70 kDa protein 1A that is encoded in the genome of human. [PRO:DAN, UniProtKB:P0DMV8]Homo sapiens (human)
Pepsin A-5A pepsin A-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P0DJD9]Homo sapiens (human)
Leukotriene A-4 hydrolaseA leukotriene A-4 hydrolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09960]Homo sapiens (human)
FurinA furin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P09958]Homo sapiens (human)
Tyrosine-protein kinase FgrA tyrosine-protein kinase Fgr that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09769]Homo sapiens (human)
Pro-cathepsin HA cathepsin H that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09668]Homo sapiens (human)
Heterogeneous nuclear ribonucleoprotein A1A heterogeneous nuclear ribonucleoprotein A1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09651]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)
Dihydropteridine reductaseA dihydropteridine reductase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09417]Homo sapiens (human)
Galectin-1A galectin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09382]Homo sapiens (human)
MatrilysinA matrilysin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09237]Homo sapiens (human)
Glutathione S-transferase PA glutathione S-transferase P that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09211]Homo sapiens (human)
Gamma-enolaseA gamma-enolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09104]Homo sapiens (human)
40S ribosomal protein SAA eukaryotic-type small ribosomal subunit protein uS2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08865]Homo sapiens (human)
Receptor-type tyrosine-protein phosphatase CA receptor-type tyrosine-protein phosphatase C that is encoded in the genome of human. [PRO:CNA, UniProtKB:P08575]Homo sapiens (human)
Integrin alpha-IIbAn integrin alpha-IIb that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08514]Homo sapiens (human)
NeprilysinA neprilysin that is encoded in the genome of human. [PRO:WCB, UniProtKB:P08473]Homo sapiens (human)
Cathepsin GA cathepsin G that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08311]Homo sapiens (human)
Glutathione S-transferase A1A glutathione S-transferase A1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08263]Homo sapiens (human)
Neutrophil elastaseA neutrophil elastase that is encoded in the genome of human. [PRO:CNA, UniProtKB:P08246]Homo sapiens (human)
Signal recognition particle receptor subunit alphaA signal recognition particle receptor subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08240]Homo sapiens (human)
Heat shock protein HSP 90-betaA heat shock protein HSP 90-beta that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Beta-glucuronidaseA beta-glucuronidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08236]Homo sapiens (human)
Corticosteroid-binding globulinA corticosteroid-binding globulin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P08185]Homo sapiens (human)
ATP-dependent translocase ABCB1An ATP-dependent translocase ABCB1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P08183]Homo sapiens (human)
Ribonuclease pancreaticA ribonuclease pancreatic that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07998]Homo sapiens (human)
Tyrosine-protein kinase LynA tyrosine-protein kinase Lyn that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07948]Homo sapiens (human)
Tyrosine-protein kinase YesA tyrosine-protein kinase Yes that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07947]Homo sapiens (human)
Heat shock protein HSP 90-alphaA heat shock protein HSP 90-alpha that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Cathepsin BA cathepsin B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07858]Homo sapiens (human)
Adenine phosphoribosyltransferaseAn adenine phosphoribosyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07741]Homo sapiens (human)
Procathepsin LA procathepsin L that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07711]Homo sapiens (human)
Beta-hexosaminidase subunit betaA beta-hexosaminidase subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07686]Homo sapiens (human)
ProsaposinA prosaposin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07602]Homo sapiens (human)
Tubulin beta chainA tubulin beta chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07437]Homo sapiens (human)
Calpain-1 catalytic subunitA calpain-1 catalytic subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07384]Homo sapiens (human)
Annexin A2An annexin A2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07355]Homo sapiens (human)
Cathepsin DA cathepsin D that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07339]Homo sapiens (human)
Prostate-specific antigenA prostate-specific antigen that is encoded in the genome of human. [PRO:CNA, UniProtKB:P07288]Homo sapiens (human)
Protein disulfide-isomeraseA protein disulfide-isomerase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07237]Homo sapiens (human)
Phosphoglycerate kinase 2A phosphoglycerate kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07205]Homo sapiens (human)
L-lactate dehydrogenase B chainAn L-lactate dehydrogenase B chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07195]Homo sapiens (human)
Fatty acid-binding protein, liverA fatty acid-binding protein, liver that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07148]Homo sapiens (human)
Kallikrein-1A kallikrein-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06870]Homo sapiens (human)
Beta-hexosaminidase subunit alphaA beta-hexosaminidase subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06865]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)
Glycogen phosphorylase, liver formA glycogen phosphorylase, liver form that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06737]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)
Alpha-enolaseAn alpha-enolase that is encoded in the genome of human. [PMID:17968930, SALO:AJ]Homo sapiens (human)
Eukaryotic translation initiation factor 4EA eukaryotic translation initiation factor 4E that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06730]Homo sapiens (human)
Cyclin-dependent kinase 1A cyclin-dependent kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06493]Homo sapiens (human)
Alpha-galactosidase AAn alpha-galactosidase A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06280]Homo sapiens (human)
Tyrosine-protein kinase LckA tyrosine-protein kinase Lck that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Insulin receptorAn insulin receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06213]Homo sapiens (human)
Serine protease hepsinA serine protease hepsin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05981]Homo sapiens (human)
Protein kinase C beta typeA protein kinase C beta type that is encoded in the genome of human. [PRO:CNA, UniProtKB:P05771]Homo sapiens (human)
Integrin beta-1An integrin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05556]Homo sapiens (human)
Fatty acid-binding protein, heartA fatty acid-binding protein, heart that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05413]Homo sapiens (human)
60S acidic ribosomal protein P0A eukaryotic-type large ribosomal subunit protein uL10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05388]Homo sapiens (human)
Intercellular adhesion molecule 1An intercellular adhesion molecule 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05362]Homo sapiens (human)
Alkaline phosphatase, tissue-nonspecific isozymeAn alkaline phosphatase, tissue-nonspecific isozyme that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05186]Homo sapiens (human)
MyeloperoxidaseA myeloperoxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05164]Homo sapiens (human)
Plasminogen activator inhibitor 1A plasminogen activator inhibitor 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P05121]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)
Aldehyde dehydrogenase, mitochondrialAn aldehyde dehydrogenase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05091]Homo sapiens (human)
Amyloid-beta precursor proteinAn amyloid-beta precursor protein that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit beta-1A sodium/potassium-transporting ATPase subunit beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05026]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit alpha-1 A sodium/potassium-transporting ATPase subunit alpha-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05023]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)
Heat shock protein beta-1A heat shock protein beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04792]Homo sapiens (human)
Pancreatic alpha-amylaseAn alpha-amylase 2A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04746]Homo sapiens (human)
Calpain small subunit 1A calpain small subunit 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04632]Homo sapiens (human)
HLA class I histocompatibility antigen, A alpha chain An MHC class I histocompatibility antigen A alpha chain that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Glyceraldehyde-3-phosphate dehydrogenaseA glyceraldehyde-3-phosphate dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04406]Homo sapiens (human)
Tubulin beta-4A chainA tubulin beta-4A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04350]Homo sapiens (human)
Sex hormone-binding globulinA sex hormone-binding globulin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04278]Homo sapiens (human)
HLA class II histocompatibility antigen gamma chainAn MHC class II histocompatibility antigen gamma chain that is encoded in the genome of human. [PRO:WCB, UniProtKB:P04233]Homo sapiens (human)
Phosphatidylcholine-sterol acyltransferaseA phosphatidylcholine-sterol acyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04180]Homo sapiens (human)
Major prion proteinA PRNP gene translation product (human) that is encoded by the major prion protein open reading frame, as opposed to the alternate reading frame. [PRO:DAN]Homo sapiens (human)
Tissue alpha-L-fucosidaseA tissue alpha-L-fucosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04066]Homo sapiens (human)
Lysosomal acid glucosylceramidaseA lysosomal acid glucosylceramidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04062]Homo sapiens (human)
Plasma kallikreinA plasma kallikrein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P03952]Homo sapiens (human)
Coagulation factor XIA coagulation factor XI that is encoded in the genome of human. [PRO:DNx, UniProtKB:P03951]Homo sapiens (human)
Vitamin D-binding proteinA vitamin D-binding protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02774]Homo sapiens (human)
AlbuminAn albumin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02768]Homo sapiens (human)
TransthyretinA transthyretin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02766]Homo sapiens (human)
Alpha-1-acid glycoprotein 1An alpha-1-acid glycoprotein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02763]Homo sapiens (human)
Retinol-binding protein 4A retinol-binding protein 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02753]Homo sapiens (human)
FibronectinA fibronectin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02751]Homo sapiens (human)
Complement component C9A complement component C9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02748]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)
HLA class I histocompatibility antigen, B alpha chain An MHC class I histocompatibility antigen B alpha chain that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
GTPase NRasA GTPase NRas that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01111]Homo sapiens (human)
Complement C5A complement C5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01031]Homo sapiens (human)
Complement C3A complement C3 that is encoded in the genome of human. [UniProtKB:P01024]Homo sapiens (human)
Carbonic anhydrase 2A vertebrate-type carbonic anhydrase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00918]Homo sapiens (human)
Carbonic anhydrase 1A vertebrate-type carbonic anhydrase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00915]Homo sapiens (human)
Complement factor BA complement factor B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00751]Homo sapiens (human)
Tissue-type plasminogen activatorA tissue-type plasminogen activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00750]Homo sapiens (human)
Urokinase-type plasminogen activatorA urokinase-type plasminogen activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00749]Homo sapiens (human)
Coagulation factor XIIA coagulation factor XII that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00748]Homo sapiens (human)
PlasminogenA plasminogen that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00747]Homo sapiens (human)
Complement factor DA complement factor D that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00746]Homo sapiens (human)
Coagulation factor IXA coagulation factor IX that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00740]Homo sapiens (human)
Complement C1r subcomponentA complement C1r subcomponent that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00736]Homo sapiens (human)
ProthrombinA prothrombin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00734]Homo sapiens (human)
Adenylate kinase isoenzyme 1An adenylate kinase isoenzyme 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00568]Homo sapiens (human)
Phosphoglycerate kinase 1 A phosphoglycerate kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00558]Homo sapiens (human)
Hypoxanthine-guanine phosphoribosyltransferaseA hypoxanthine-guanine phosphoribosyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00492]Homo sapiens (human)
Purine nucleoside phosphorylaseA purine nucleoside phosphorylase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00491]Homo sapiens (human)
Superoxide dismutase [Cu-Zn]A superoxide dismutase [Cu-Zn] that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00441]Homo sapiens (human)
Glutathione reductase, mitochondrialA glutathione reductase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00390]Homo sapiens (human)
Retinal dehydrogenase 1An aldehyde dehydrogenase 1A1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00352]Homo sapiens (human)
L-lactate dehydrogenase A chainAn L-lactate dehydrogenase A chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00338]Homo sapiens (human)
Serine/threonine-protein kinase OSR1A serine/threonine-protein kinase OSR1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95747]Homo sapiens (human)
Rap guanine nucleotide exchange factor 3A Rap guanine nucleotide exchange factor 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95398]Homo sapiens (human)
Acyl-protein thioesterase 2An acyl-protein thioesterase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95372]Homo sapiens (human)
Structural maintenance of chromosomes protein 2A structural maintenance of chromosomes protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95347]Homo sapiens (human)
Bile salt export pumpA bile salt export pump that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95342]Homo sapiens (human)
Serine/threonine-protein kinase 10A serine/threonine-protein kinase 10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94804]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)
Solute carrier family 22 member 5An organic cation/carnitine transporter 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O76082]Homo sapiens (human)
Gamma-butyrobetaine dioxygenaseA gamma-butyrobetaine dioxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75936]Homo sapiens (human)
Isocitrate dehydrogenase [NADP] cytoplasmicAn isocitrate dehydrogenase [NADP] cytoplasmic that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Acyl-protein thioesterase 1An acyl-protein thioesterase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75608]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)
Putative nucleoside diphosphate kinaseA protein that is a translation product of the NME2P1 gene in human. [PRO:DNx, UniProtKB:O60361]Homo sapiens (human)
Transmembrane protease serine 11DA transmembrane protease serine 11D that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60235]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)
2'-deoxynucleoside 5'-phosphate N-hydrolase 1A 5-hydroxymethyl-dUMP N-hydrolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43598]Homo sapiens (human)
Maltase-glucoamylase, intestinalA maltase-glucoamylase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43451]Homo sapiens (human)
TrehalaseA trehalase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43280]Homo sapiens (human)
26S proteasome non-ATPase regulatory subunit 3A 26S proteasome non-ATPase regulatory subunit 3 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
D-3-phosphoglycerate dehydrogenaseA D-3-phosphoglycerate dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43175]Homo sapiens (human)
Transmembrane protease serine 2A transmembrane protease serine 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15393]Homo sapiens (human)
Polyunsaturated fatty acid lipoxygenase ALOX15BA polyunsaturated fatty acid lipoxygenase ALOX15B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15296]Homo sapiens (human)
Solute carrier family 22 member 2A solute carrier family 22 member 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15244]Homo sapiens (human)
Proteasome subunit alpha type-7A proteasome subunit alpha type-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14818]Homo sapiens (human)
Na(+)/H(+) exchange regulatory cofactor NHE-RF1A Na(+)/H(+) exchange regulatory cofactor NHE-RF1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O14745]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)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3An ectonucleotide pyrophosphatase/phosphodiesterase family member 3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14638]Homo sapiens (human)
Pyridoxal kinaseA pyridoxal kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00764]Homo sapiens (human)
Lysosomal alpha-mannosidaseA lysosomal alpha-mannosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00754]Homo sapiens (human)
ATP-dependent RNA helicase DDX3XAn ATP-dependent RNA helicase DDX3X that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00571]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)
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alphaA phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00443]Homo sapiens (human)
Sulfhydryl oxidase 1A sulfhydryl oxidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00391]Homo sapiens (human)
26S proteasome non-ATPase regulatory subunit 12A 26S proteasome non-ATPase regulatory subunit 12 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O00232]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)

Compounds (7,069)

CompoundDefinitionClassesRoles
dinitrochlorobenzene1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.

Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.
C-nitro compound;
monochlorobenzenes
allergen;
epitope;
sensitiser
9-ethyladenine
1,2,4-trichlorobenzene1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4.trichlorobenzene
2,3-dihydroxybenzoic acid2,3-dihydroxybenzoic acid : A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta.

2,3-dihydroxybenzoic acid: RN given refers to parent cpd

dihydroxybenzoic acid : Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.
dihydroxybenzoic acidhuman xenobiotic metabolite;
plant metabolite
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-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
adenine6-aminopurines;
purine nucleobase
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
agmatineAgmatine: Decarboxylated arginine, isolated from several plant and animal sources, e.g., pollen, ergot, herring sperm, octopus muscle.guanidines;
primary amino compound
Escherichia coli metabolite;
mouse metabolite
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
beta-alanineamino acid zwitterion;
beta-amino acid
agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
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
betaineglycine betaine : The amino acid betaine derived from glycine.amino-acid betaine;
glycine derivative
fundamental metabolite
bromideBromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)halide anion;
monoatomic bromine
hydrobromic acidHydrobromic Acid: Hydrobromic acid (HBr). A solution of hydrogen bromide gas in water.

hydrobromide : Salts formally resulting from the reaction of hydrobromic acid with an organic base.

hydrogen bromide : A diatomic molecule containing covalently bonded hydrogen and bromine atoms.
gas molecular entity;
hydrogen halide;
mononuclear parent hydride
mouse metabolite
cadaverinealkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
carbamyl phosphateCarbamyl Phosphate: The monoanhydride of carbamic acid with PHOSPHORIC ACID. It is an important intermediate metabolite and is synthesized enzymatically by CARBAMYL-PHOSPHATE SYNTHASE (AMMONIA) and CARBAMOYL-PHOSPHATE SYNTHASE (GLUTAMINE-HYDROLYZING).acyl monophosphate;
one-carbon compound
Escherichia coli metabolite;
mouse metabolite
ureidosuccinic acidN-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group.

ureidosuccinic acid: RN given refers to (DL)-isomer
aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
aminooxyacetic acid(aminooxy)acetic acid : A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues.

Aminooxyacetic Acid: A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues.
amino acid;
hydroxylamines;
monocarboxylic acid
anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
carnitineamino-acid betainehuman metabolite;
mouse metabolite
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
chlordeconecyclic ketone;
organochlorine compound
insecticide;
persistent organic pollutant
cholinecholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
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
chlorinechloride : A halide anion formed when chlorine picks up an electron to form an an anion.halide anion;
monoatomic chlorine
cofactor;
Escherichia coli metabolite;
human metabolite
hydrochloric acidHydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.

hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.
chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride
mouse metabolite
coumarin2H-chromen-2-one: coumarin derivativecoumarinsfluorescent dye;
human metabolite;
plant 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
4-hydroxyphenylglyoxylic acid4-hydroxyphenylglyoxylate : Conjugate base of 4-hydroxyphenylglyoxylic acid.

4-hydroxyphenylglyoxylic acid: RN given refers to parent cpd
phenols
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
4-methylumbelliferyl acetate4-methylumbelliferyl acetate : An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.acetate ester;
coumarins
plant 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-nitrophenylphosphate4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.

nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid
aryl phosphatemouse metabolite
octanoic acidoctanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.

octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764
medium-chain fatty acid;
straight-chain saturated fatty acid
antibacterial agent;
Escherichia coli metabolite;
human metabolite
hydrogen sulfidehydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.

Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed)

thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.
gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride
Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
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
dihydrolipoic aciddihydrolipoate : The conjugate base of dihydrolipoic acid.

dihydrolipoic acid : A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects.

dihydrolipoic acid: RN given refers to parent cpd without isomeric designation
thio-fatty acidantioxidant;
human metabolite;
neuroprotective agent
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-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammoniumacylcholine
hippuric acidhippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591

N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl.
N-acylglycinehuman blood serum metabolite;
uremic toxin
taxifolin3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone
cyanic acidone-carbon compound;
pseudohalogen oxoacid
aminocaproic acid6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.

Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties.
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid
antifibrinolytic drug;
hematologic agent;
metabolite
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
diacetylbutane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite
glutaric acidglutaric acid : An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.

glutaric acid: RN given refers to parent cpd
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
Daphnia magna metabolite;
human metabolite
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
glyceraldehydealdose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.

glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.

Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.
aldotriosefundamental metabolite
carbonic acidCarbonic Acid: Carbonic acid (H2C03). The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed)carbon oxoacid;
chalcocarbonic acid
mouse metabolite
hydrogen cyanidehydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom

Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.
hydracid;
one-carbon compound
Escherichia coli metabolite;
human metabolite;
poison
hydrogen carbonateBicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.

hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid.
carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
thiocyanic acidthiocyanic acid : A hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom.hydracid;
one-carbon compound;
organosulfur compound
Escherichia coli metabolite
hydroquinonebenzenediol;
hydroquinones
antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
imidazole1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.

imidazole: RN given refers to parent cpd
imidazole
indoleindole;
polycyclic heteroarene
Escherichia coli metabolite
thyroxine2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine;
non-proteinogenic alpha-amino acid;
tyrosine derivative
mitogen
lipoamideLipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resindithiolanes;
monocarboxylic acid amide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thioctic acidThioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.dithiolanes;
heterocyclic fatty acid;
thia fatty acid
fundamental metabolite;
geroprotector
malonic aciddicarboxylic acid : Any carboxylic acid containing two carboxy groups.

malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
alpha,omega-dicarboxylic acidhuman metabolite
inositol1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.

inositol : Any cyclohexane-1,2,3,4,5,6-hexol.

Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.

muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.
cyclitol;
hexol
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
n-acetylserotoninN-acetylserotonin : An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid.acetamides;
N-acylserotonin;
phenols
antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
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
naringenin4'-hydroxyflavanones;
trihydroxyflavanone
niacinNiacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.

nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.

vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3
antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
nitratesNitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
nitric acidnitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.

Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed)
nitrogen oxoacidprotic solvent;
reagent
nitritesNitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
human metabolite
oxalic acidoxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.

Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.
alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
oxamic acidoxamic acid : A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia.

Oxamic Acid: Amino-substituted glyoxylic acid derivative.
dicarboxylic acid monoamideEscherichia coli metabolite
4-hydroxyphenylpyruvic acid4-hydroxyphenylpyruvic acid : A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.

4-hydroxyphenylpyruvic acid: RN given refers to parent cpd
2-oxo monocarboxylic acid;
phenols
human metabolite
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
pentachlorophenolPENTA: structure given in first sourcearomatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes
human xenobiotic metabolite
phenolphenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phenylacetic acidphenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.benzenes;
monocarboxylic acid;
phenylacetic acids
allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
5-phenylhydantoin, (+-)-isomer5-phenylhydantoin: structure given in first source
phosphoric acidphosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.

phosphoric acid: concise etchant is 37% H3PO4
phosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent
phthalic acidphthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.

phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178
benzenedicarboxylic acidhuman xenobiotic 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
porphobilinogenaralkylamino compound;
dicarboxylic acid;
pyrroles
Escherichia coli metabolite;
metabolite;
mouse metabolite
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
pyrazinamidepyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.monocarboxylic acid amide;
N-acylammonia;
pyrazines
antitubercular agent;
prodrug
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
pyridoxalhydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6
cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxal phosphatepyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.

Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate
coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxamineaminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6
Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
pyridoxine4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source

vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6
cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyrogallolbenzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.benzenetriol;
phenolic donor
plant metabolite
selenic acidSelenic Acid: A strong dibasic acid with the molecular formula H2SeO4. Included under this heading is the acid form, and inorganic salts of dihydrogen selenium tetraoxide.selenium oxoacid
sulfurous acidsulfur oxoacid
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
sulfuric acidsulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.sulfur oxoacidcatalyst
tetramethylene sulfoxidetetrahydrothiophenes
thiaminethiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.primary alcohol;
vitamin B1
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
uric acid6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.

7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.

uric acid : An oxopurine that is the final oxidation product of purine metabolism.

Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.
uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
ureaisourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.

pseudourea: clinical use; structure
isourea;
monocarboxylic acid amide;
one-carbon compound
Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
catechinhydroxyflavan
2,4-methanoglutamate2,4-methanoglutamate: structure given in first source; selective N-methyl-D-aspartate receptor agonist; inhibits high affinity L-glutamic acid uptake into rat cortical synaptosomes; RN given for (trans)-isomer
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
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
pk 11195PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylaminearomatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes
antineoplastic agent
1-(3-chlorophenyl)biguanide1-(3-chlorophenyl)biguanide: RN given refers to parent cp; a 5-HT3 receptor agonistbiguanides;
monochlorobenzenes
1-(3-chlorophenyl)piperazine1-(3-chlorophenyl)piperazine : A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone.

1-(3-chlorophenyl)piperazine: supposed metabolite of TRAZODONE; RN given refers to parent cpd; structure
monochlorobenzenes;
N-arylpiperazine
drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
1-(2-trifluoromethylphenyl)imidazole1-(2-trifluoromethylphenyl)imidazole: an inhibitor of neuronal nitric oxide synthase in mouseimidazoles
1-anilino-8-naphthalenesulfonate1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd

8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.
aminonaphthalene;
naphthalenesulfonic acid
fluorescent probe
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine: A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease.
methylpyridines;
phenylpyridine;
tetrahydropyridine
neurotoxin
1-methylimidazole1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.imidazoles
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
4-(2,4-dichlorophenoxy)butyric acid2,4-DB : A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide.

4-(2,4-dichlorophenoxy)butyric acid: structure
aromatic ether;
monocarboxylic acid;
organochlorine compound
agrochemical;
phenoxy herbicide;
synthetic auxin
beta-resorcylic acidbeta-resorcylic acid: RN given refers to parent cpd; structure
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
pyrithionepyrithione : A pyridinethione that is pyridine-2(1H)-thione in which the hydrogen attached to the nitrogen is replaced by a hydroxy group. It is a Zn(2+) ionophore; the zinc salt is used as an antifungal and antibacterial agent.

pyrithione: split from cephalosporin molecule; some metal complexes of this have fumarate reductase inhibitory activity and may be useful against trypanosomes; RN given refers to parent cpd; structure
monohydroxypyridine;
pyridinethione
ionophore
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
zopolrestatzopolrestat: structure given in first source
tramiprosate3-aminopropanesulfonic acid : An amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid.

tramiprosate: GABA receptor agonist and a glycosaminoglycan mimetic; has nootropic acitivity; structure; a sulfonate analog of GABA
amino sulfonic acid;
zwitterion
algal metabolite;
anti-inflammatory agent;
anticonvulsant;
GABA agonist;
nootropic agent
aminopropionitrileAminopropionitrile: Reagent used as an intermediate in the manufacture of beta-alanine and pantothenic acid.aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
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
enprofyllineenprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
pleconarilWIN 63843: structure given in first source
ro 5-48644'-chlorodiazepam: selectively binds peripheral benzodiazepine receptor
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
jtv519
4-aminobenzamidine4-aminobenzamidine: a urokinase inhibitor; inhibits acrosin; structure given in first source
4-aminopyridineaminopyridine;
aromatic amine
avicide;
orphan drug;
potassium channel blocker
p-chloromercuribenzoic acidp-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent.chlorine molecular entity;
mercuribenzoic acid
chlorocresol4-chloro-m-cresol : A hydroxytoluene that is 3-methylphenol which is substituted by a chlorine at position 4. A ryanodine receptor agonist.

chlorocresol: injections for relief of intractable pain; RN given refers to parent cpd
hydroxytoluene;
monochlorobenzenes
antimicrobial agent;
disinfectant;
ryanodine receptor agonist
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
ethylisopropylamilorideethylisopropylamiloride : A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group.

ethylisopropylamiloride: structure in first source
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound
anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
5-(nonyloxy)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
5-iodo-2-(oxaloamino)benzoic acidorganoiodine compound
6,7-dichloroquinoxaline-2,3-dionequinoxaline derivative
6-hydroxymelatonin6-hydroxymelatonin : A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.acetamides;
tryptamines
metabolite;
mouse metabolite
6-nitroso-1,2-benzopyrone
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
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
aa 8612,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone: structure given in first source

docebenone : A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group.
1,4-benzoquinones;
acetylenic compound;
primary alcohol
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
acemetacinacemetacin : A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin.carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
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
acetarsolacetamides;
anilide
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
acetohexamideacetohexamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group.

Acetohexamide: A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide.
acetophenones;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
acetohydroxamic acidacetohydroxamic acid : A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group.

acetohydroxamic acid: urease inhibitor

N-hydroxyacetimidic acid : A carbohydroximic acid consisting of acetimidic acid having a hydroxy group attached to the imide nitrogen.

oxime : Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.
acetohydroxamic acids;
carbohydroximic acid
algal metabolite;
EC 3.5.1.5 (urease) inhibitor
ethacridineEthacridine: A topically applied anti-infective agent.acridines
4-(acetylamino)benzeneacetic acidacetamides;
anilide
adiphenineadiphenine: was heading 1963-94; use DIPHENYLACETIC ACIDS to search ADIPHENINE 1966-94diarylmethane
rtki cpdaromatic ether;
monochlorobenzenes;
quinazolines
antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
tyrphostin a23tyrphostin A23: inhibits EGF-stimulated thymidine incorporation as well as EGF-stimulated receptor autophosphorylation & tyrosine phosphorylation & cell proliferation; structure given in first sourcecatechols
tyrphostin 25benzenetriol
aklomideaklomide: structurecarbonyl compound;
organohalogen compound
alaproclatealaproclate: specific 5-hydroxytryptamine uptake inhibitors; RN given refers to (DL)-isomeralpha-amino acid ester
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
alprazolamalprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.

Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238)
organochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
alprenololalprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.

Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.
secondary alcohol;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
alrestatinalrestatin: aldose reductase inhibitor; RN given refers to parent cpd; structure
althiazidebenzothiadiazine
altretamineAltretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine.triamino-1,3,5-triazine
amantadineamant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first sourceadamantanes;
primary aliphatic amine
analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambroxolAmbroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride.aromatic amine
diatrizoic acidamidotrizoic acid : A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography.

Diatrizoate: A commonly used x-ray contrast medium. As DIATRIZOATE MEGLUMINE and as Diatrizoate sodium, it is used for gastrointestinal studies, angiography, and urography.
acetamides;
benzoic acids;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
aminoglutethimideaminoglutethimide : A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position.

Aminoglutethimide: An aromatase inhibitor that is used in the treatment of advanced BREAST CANCER.
dicarboximide;
piperidones;
substituted aniline
adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
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
p-aminohippuric acidp-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.

p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.

p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.
N-acylglycineDaphnia magna metabolite
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
dan 2163aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone
environmental contaminant;
second generation antipsychotic;
xenobiotic
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
amlexanoxamlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.

amlexanox: SRA-A antagonist;structure given in first source
monocarboxylic acid;
pyridochromene
anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
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
amodiaquineamodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.

Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.
aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
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
ampiroxicamampiroxicam : A benzothiazine that is the 1-[(ethoxycarbonyl)oxy]ethyl ether of piroxicam. A prodrug for piroxicam, it is used for the relief of pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis.

ampiroxicam: prodrug of piroxicam; structure given in first source
acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide
analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
amproliumamprolium : An organic chloride salt having 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium as the counterion. Used for prevention of coccidiosis in poultry and cattle.

Amprolium: A veterinary coccidiostat that interferes with THIAMINE metabolism.

amprolium(1+) : A pyridinium ion that is the cationic portion of amprolium, a veterinary drug which is used for prevention of coccidiosis in poultry and cattle.
pyridinium ioncoccidiostat
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
anastrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
anethole trithioneAnethole Trithione: Choleretic used to allay dry mouth and constipation due to tranquilizers.methoxybenzenes
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
antazolineantazoline : A member of the class of imidazolines that is 2-aminomethyl-2-imidazoline in which the exocyclic amino hydrogens are replaced by benzyl and phenyl groups. Antazoline is only found in individuals that have taken the drug.

Antazoline: An antagonist of histamine H1 receptors.
aromatic amine;
imidazolines;
tertiary amino compound
cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
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
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diolaporphine alkaloid
aranidipinearanidipine: structure given in first sourceorganic molecular entity
arecolinearecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.

Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.
enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine
metabolite;
muscarinic agonist
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
atenololatenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.

Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.
ethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-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
azathioprineazathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.

Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed)
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine
antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelastineazelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position.

azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia
monochlorobenzenes;
phthalazines;
tertiary amino compound
anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
azosemideazosemide : A sulfonamide that is benzenesulfonamide which is substituted at positions 2, 4, and 5 by chlorine, (2-thienylmethyl)amino and 1H-tetrazol-5-yl groups, respectively. It is a diuretic that has been used in the management of oedema and hypertension.monochlorobenzenes;
sulfonamide;
tetrazoles;
thiophenes
loop diuretic
baclofenamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound
central nervous system depressant;
GABA agonist;
muscle relaxant
bendroflumethiazidebendroflumethiazide : A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.

Bendroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810)
benzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
benserazidebenserazide : A carbohydrazide that results from the formal condensation of the carboxy group of DL-serine with the primary amino group of 4-(hydrazinylmethyl)benzene-1,2,3-triol. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as its hydrochloride salt 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 has no antiparkinson actions when given alone.

Benserazide: An inhibitor of DOPA DECARBOXYLASE that does not enter the central nervous system. It is often given with LEVODOPA in the treatment of parkinsonism to prevent the conversion of levodopa to dopamine in the periphery, thereby increasing the amount that reaches the central nervous system and reducing the required dose. It has no antiparkinson actions when given alone.
carbohydrazide;
catechols;
primary alcohol;
primary amino compound
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
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
benzethoniumBenzethonium: Bactericidal cationic quaternary ammonium surfactant used as a topical anti-infective agent. It is an ingredient in medicaments, deodorants, mouthwashes, etc., and is used to disinfect apparatus, etc., in the food processing and pharmaceutical industries, in surgery, and also as a preservative. The compound is toxic orally as a result of neuromuscular blockade.alkylbenzene
benzocainebenzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.

Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.

dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.
benzoate ester;
substituted aniline
allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
benzothiazidebenzothiazide: structure

benzthiazide : 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema.
benzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
benzyl benzoatebenzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia.

benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide
benzoate ester;
benzyl ester
acaricide;
plant metabolite;
scabicide
benzyl isothiocyanatebenzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinomabenzenes;
isothiocyanate
antibacterial drug
butylbenzyl phthalatespatozoate: structure in first sourcebenzyl ester
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
5-methoxypsoralen5-methoxypsoralen : A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5.

5-Methoxypsoralen: A linear furanocoumarin that has phototoxic and anti-inflammatory properties, with effects similar to METHOXSALEN. It is used in PUVA THERAPY for the treatment of PSORIASIS.
5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens
hepatoprotective agent;
plant metabolite
benzo(b)thiophene-2-boronic acidbenzo(b)thiophene-2-boronic acid: inhibits AmpC beta-lactamase; structure in first source
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
betaxololpropanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bethanecholbethanechol : The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.

Bethanechol: A slowly hydrolyzing muscarinic agonist with no nicotinic effects. Bethanechol is generally used to increase smooth muscle tone, as in the GI tract following abdominal surgery or in urinary retention in the absence of obstruction. It may cause hypotension, HEART RATE changes, and BRONCHIAL SPASM.
carbamate ester;
quaternary ammonium ion
muscarinic agonist
bicalutamidebicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism.

bicalutamide: approved for treatment of advanced prostate cancer

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bifemelanebifemelane: structure given in first sourcediarylmethane
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
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
boheminebohemine : Purine substituted on C-2, C-6 and N-9 with (3-hydroxypropyl)amino, benzylamino and isopropyl groups respectively; a synthetic, cell-permeable, cyclin-dependent kinase (CDK) inhibitor that is structurally similar to olomoucine and roscovitine.purinesEC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bretyliumbretylium : A quaternary ammonium cation having 2-bromobenzyl, ethyl and two methyl groups attached to the nitrogen. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation.

bretylium: RN given refers to parent cpd
quaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
bromhexinebromhexine : A substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum).

Bromhexine: A mucolytic agent used in the treatment of respiratory disorders associated with viscid or excessive mucus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p744)
organobromine compound;
substituted aniline;
tertiary amino compound
mucolytic
bromopridebromopride: RN given refers to parent cpd; structurebenzamides
bromperidolbromperidol: bromine-substituted for chlorine in haloperidol; RN given refers to unlabeled parent cpd; structurearomatic ketone
seratrodastorganic molecular entity
bronopolnitro compound
broxyquinolinebroxyquinoline: structureorganohalogen compound;
quinolines
ym 58483
bu 224BU 224: a selective imidazoline 2-receptor blockerquinolines
bucolomebucolome: was heading 1978-94 (see under BARBITURATES 1978-90); was PARAMIDINE see under BARBITURATES 1975-77; use BARBITURATES to search BUCOLOME 1978-94 & PARAMIDINE 1975-77; proposed anti-inflammatory agent with possible analgesic propertiesbarbiturates
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
buspironebuspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.

Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.
azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfanmethanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butacainebutacaine: was MH 1965-92; BUTAPROBENZ & BUTOCAIN were see BUTACAINE 1978-92; use 4-AMINOBENZOIC ACID to search BUTACAINE 1966-92benzoate ester
butambenbutamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders.

butamben: structure
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline
local anaesthetic
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
butoctamide succinatebutoctamide succinate: increases REM sleep in chronically prepared cats; RN given refers to parent cpd; structure given in first sourcedicarboxylic acid monoester;
hemisuccinate;
secondary carboxamide
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
carbamylcholine
carbamazepinecarbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.

Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.
dibenzoazepine;
ureas
analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carbamazepine epoxidecarbamazepine epoxide: metabolite of carbamazepine; RN given refers to unlabeled cpd

carbamazepine-10,11-epoxide : An epoxide and metabolite of carbamazepine.
dibenzoazepine;
epoxide;
ureas
allergen;
drug metabolite;
marine xenobiotic metabolite
carbetapentanecarbetapentane: RN given refers to parent cpdbenzenes
carbinoxaminecarbinoxamine : An organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease.

carbinoxamine: Note: tradenames that start with Histex refer to more than one drug
monochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
carisoprodolcarisoprodol : A carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm.

Carisoprodol: A centrally acting skeletal muscle relaxant whose mechanism of action is not completely understood but may be related to its sedative actions. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1202)
carbamate estermuscle relaxant
carmofurorganohalogen compound;
pyrimidines
carmustinecarmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.

Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed)
N-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
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
carteololCarteolol: A beta-adrenergic antagonist used as an anti-arrhythmia agent, an anti-angina agent, an antihypertensive agent, and an antiglaucoma agent.quinolone;
secondary alcohol
anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic 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
celiprololCeliprolol: A cardioselective beta-1 adrenergic antagonist that has intrinsic sympathomimetic activity. It is used in the management of ANGINA PECTORIS and HYPERTENSION.aromatic ketone
cgs 120664-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline : A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration.N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline
serotonergic agonist
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
chlorambucilchlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.

Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed)
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlordiazepoxidechlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.

Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.
benzodiazepine
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
chloroxylenol4-chloro-3,5-dimethylphenol : A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores.

chloroxylenol: topical antiseptic; RN given refers to parent cpd; structure
monochlorobenzenes;
phenols
antiseptic drug;
disinfectant;
molluscicide
chlorpheniraminechlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.

Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.
monochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
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
chlorpropamidechlorpropamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification.

Chlorpropamide: A sulfonylurea hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277)
monochlorobenzenes;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
chlorthalidoneChlorthalidone: A benzenesulfonamide-phthalimidine that tautomerizes to a BENZOPHENONES form. It is considered a thiazide-like diuretic.isoindoles;
monochlorobenzenes;
sulfonamide
chlorzoxazonechlorzoxazone : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm.

Chlorzoxazone: A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202)
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound
muscle relaxant;
sedative
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
aricinecinchona alkaloid
ciprofibratecyclopropanes;
monocarboxylic acid;
organochlorine compound
antilipemic drug
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
cisplatin
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
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
clobazamclobazam : 7-Chloro-1H-1,5-benzodiazepine-2,4(3H,5H)-dione in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group, whilst that attached to the other nitrogen is substituted by a phenyl group. It is used for the short-term management of acute anxiety and as an adjunct in the treatment of epilepsy in association with other antiepileptics.

Clobazam: A benzodiazepine derivative that is a long-acting GABA-A RECEPTOR agonist. It is used as an antiepileptic in the treatment of SEIZURES, including seizures associated with LENNOX-GASTAUT SYNDROME. It is also used as an anxiolytic, for the short-term treatment of acute ANXIETY.
1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator
clobenpropitclobenpropit : An imidothiocarbamic ester that consists of isothiourea bearing S-3-(imidazol-4-yl)propyl and N-4-chlorobenzyl substituents. An extremely potent histamine H3 antagonist/inverse agonist (pA2 = 9.93). Also displays partial agonist activity at H4 receptors; induces eosinophil shape change with an EC50 of 3 nM.

clobenpropit: histamine H3 receptor antagonist
imidazoles;
imidothiocarbamic ester;
organochlorine compound
H3-receptor antagonist;
H4-receptor agonist
3-chlorocarpipramine3-chlorocarpipramine: RN given refers to parent cpd; structuredibenzooxazepine
clofazimineclofazimine : 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients.

Clofazimine: A fat-soluble riminophenazine dye used for the treatment of leprosy. It has been used investigationally in combination with other antimycobacterial drugs to treat Mycobacterium avium infections in AIDS patients. Clofazimine also has a marked anti-inflammatory effect and is given to control the leprosy reaction, erythema nodosum leprosum. (From AMA Drug Evaluations Annual, 1993, p1619)
monochlorobenzenes;
phenazines
dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clofibrateangiokapsul: contains clofibrate & insoitolnicotinatearomatic ether;
ethyl ester;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clofoctoldiarylmethane
clomiphenetertiary amineestrogen antagonist;
estrogen receptor modulator
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
clonazepamclonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation.

Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses.
1,4-benzodiazepinone;
monochlorobenzenes
anticonvulsant;
anxiolytic drug;
GABA modulator
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamidesulfonamide
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
cloxyquincloxyquin: has antitubercular activity; structure in first sourceorganochlorine compound;
quinolines
coumaphosCoumaphos: A organothiophosphorus cholinesterase inhibitor that is used as an anthelmintic, insecticide, and as a nematocide.organic thiophosphate;
organochlorine compound;
organothiophosphate insecticide
acaricide;
agrochemical;
antinematodal drug;
avicide;
EC 3.1.1.8 (cholinesterase) inhibitor
2-(2-hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone
cromolyncromoglycic acid : A dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer.chromones;
dicarboxylic acid
anti-asthmatic drug;
calcium channel blocker
cyclandelatecyclandelate : The ester obtained by formal condensation of mandelic acid and 3,3,5-tricyclohexanol. It is a direct-acting smooth muscle relaxant used to dilate blood vessels.

Cyclandelate: A direct-acting SMOOTH MUSCLE relaxant used to dilate BLOOD VESSELS.
carboxylic ester;
secondary alcohol
vasodilator agent
cyclobenzaprinecyclobenzaprine : 5-Methylidene-5H-dibenzo[a,d]cycloheptene in which one of the hydrogens of the methylidene group is substituted by a 2-(dimethylamino)ethyl group. A centrally acting skeletal muscle relaxant, it is used as its hydrochloride salt in the symptomatic treatment of painful muscle spasm.

cyclobenzaprine: RN given refers to parent cpd; Lisseril is synonymous for HCl; structure
carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
cyclofenilCyclofenil: A gonadal stimulant and inducer of ovulation. It is used in the treatment of infertility and amenorrhea, but is thought to be less effective than CLOMIPHENE.organic molecular entity
cyclothiazidecyclothiazide : 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema.

cyclothiazide: inhibits the desensitization of AMPA-type receptors; structure
benzothiadiazineantihypertensive agent;
diuretic
cypermethrincypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.

zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45.
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound
agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide
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
dimethyl 2,3,5,6-tetrachloroterephthalatedimethyl 2,3,5,6-tetrachloroterephthalate: structurediester;
methyl ester
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
danthronchrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8.

danthron: structure
dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
dapsonesubstituted aniline;
sulfone
anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
debrisoquinDebrisoquin: An adrenergic neuron-blocking drug similar in effects to GUANETHIDINE. It is also noteworthy in being a substrate for a polymorphic cytochrome P-450 enzyme. Persons with certain isoforms of this enzyme are unable to properly metabolize this and many other clinically important drugs. They are commonly referred to as having a debrisoquin 4-hydroxylase polymorphism.carboxamidine;
isoquinolines
adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
decamethoniumdecamethonium : A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents.

decamethonium: RN given refers to parent cpd
quaternary ammonium ionmuscle relaxant;
nicotinic acetylcholine receptor agonist
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
nordazepamnordazepam : A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety.

Nordazepam: An intermediate in the metabolism of DIAZEPAM to OXAZEPAM. It may have actions similar to those of diazepam.
1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
nonivamidenonivamide : A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays.

nonivamide: has effect on sensory neurons
capsaicinoid;
phenols
lachrymator
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
diazoxidediazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.

Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group.
benzothiadiazine;
organochlorine compound;
sulfone
antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dibenzothiophenedibenzothiophene : A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.dibenzothiophenes;
mancude organic heterotricyclic parent
keratolytic drug
dibucainecinchocaine : A monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions.

Dibucaine: A local anesthetic of the amide type now generally used for surface anesthesia. It is one of the most potent and toxic of the long-acting local anesthetics and its parenteral use is restricted to spinal anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1006)
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound
topical anaesthetic
dibutyl phthalatedibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.

Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.
diester;
phthalate ester
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
diclofenac sodiumdiclofenac(1-) : The conjugate base of diclofenac.monocarboxylic acid anion
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
ddt1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first sourcebenzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide
bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
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
dichlorphenamideDichlorphenamide: A carbonic anhydrase inhibitor that is used in the treatment of glaucoma.

diclofenamide : A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma.
dichlorobenzene;
sulfonamide
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dicyclominedicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.

Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms.
carboxylic ester;
tertiary amine
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
pentetic acidPentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.pentacarboxylic acidcopper chelator
diphenidoldiphenidol : A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4.

diphenidol: shows anti-arrhythmic activity; RN given refers to unlabeled parent cpd
benzenes;
piperidines;
tertiary alcohol
antiemetic
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
dilazepdilazep : A member of the class of diazepanes that is 1,4-diazepane substituted by 3-[(3,4,5-trimethoxybenzoyl)oxy]propyl groups at positions 1 and 4. It is a potent adenosine uptake inhibitor that exhibits antiplatelet, antianginal and vasodilator properties.

Dilazep: Coronary vasodilator with some antiarrhythmic activity.
benzoate ester;
diazepane;
diester;
methoxybenzenes
cardioprotective agent;
platelet aggregation inhibitor;
vasodilator agent
dilacor xr5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate : A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group.acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
dimercaproldimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury.

Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning.
dithiol;
primary alcohol
chelator
dimethadioneDimethadione: An anticonvulsant that is the active metabolite of TRIMETHADIONE.oxazolidinone
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
diphenylpyralineallergen : A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

diphenylpyraline : A member of the class of piperidines that is the benzhydryl ether derivative of 1-methyl-4-hydroxypiperidine. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders. It is also used as the teoclate salt (piprinhydrinate) as an ingredient in compound preparations for the symptomatic relief of coughs and the common cold.

diphenylpyraline: RN given refers to parent cpd; structure
piperidines;
tertiary amine
cholinergic antagonist;
H1-receptor antagonist
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
dipyrithionepyridinium ion
dipyronemetamizole : A pyrazole that is antiipyrine substituted at C-4 by a methyl(sulfomethyl)amino group, the sodium salt of which, metamizole sodium, was widely used as a powerful analgesic and antipyretic, but withdrawn from many markets from the 1970s due to a risk of causing risk of causing agranulocytosis.amino sulfonic acid;
pyrazoles
anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
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
stallimycin
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
thiorphanThiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.N-acyl-amino acid
n(6),n(6)-dimethyladenineN(6),N(6)-dimethyladenine : A tertiary amine that is adenine substituted at N-6 by geminal methyl groups.tertiary amine
2,3-dimethoxy-1,4-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
adtnADTN: RN given refers to parent cpd without isomeric designation; structure
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
doxylamineDoxylamine: Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in PARKINSONISM.pyridines;
tertiary amine
anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
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
dycloninearomatic ketone;
piperidines
topical anaesthetic
dyphyllinedyphylline : An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs.

Dyphylline: A THEOPHYLLINE derivative with broncho- and vasodilator properties. It is used in the treatment of asthma, cardiac dyspnea, and bronchitis.
oxopurine;
propane-1,2-diols
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
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
efavirenz
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
epinastineepinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine.

epinastine: RN given refers parent cpd
benzazepine;
guanidines
anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
erythrosineFluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.
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
ethoprophosethoprop: structureorganic thiophosphate;
organothiophosphate insecticide
agrochemical;
antinematodal drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
profenamineprofenamine : A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease.

profenamine: was heading 1972-94 (see under PHENOTHIAZINES 1972-90); use PHENOTHIAZINES to search ETHOPROPAZINE 1972-94
phenothiazines;
tertiary amino compound
adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
ethosuximideethosuximide : A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures.

Ethosuximide: An anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures.
dicarboximide;
pyrrolidinone
anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethotoinethotoin : An imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective.

ethotoin: was heading 1966-94 (see under HYDANTOINS 1966-90); use HYDANTOINS to search ETHOTOIN 1966-94
imidazolidine-2,4-dioneanticonvulsant
ethoxyquinethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.

Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears.
aromatic ether;
quinolines
antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
ethoxzolamideethoxzolamide : A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic.

Ethoxzolamide: A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia.
aromatic ether;
benzothiazoles;
sulfonamide
antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
etidronateetidronic acid : A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.

Etidronic Acid: A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover.
1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
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
2-hexyloxybenzamide2-hexyloxybenzamide: structurearomatic ether;
benzamides
antifungal agent
brl 428102-aminopurines;
acetate ester
antiviral drug;
prodrug
famprofazonefamprofazone: structure given in first source; ingredient of Gewodin; methamphetamine is a metabolite of this cpdpyrazoles;
ring assembly
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
felbamatefelbamate : The bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy.

Felbamate: A PEGylated phenylcarbamate derivative that acts as an antagonist of NMDA RECEPTORS. It is used as an anticonvulsant, primarily for the treatment of SEIZURES in severe refractory EPILEPSY.
carbamate esteranticonvulsant;
neuroprotective agent
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
felodipinefelodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.

Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels.
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
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
fendilineFendiline: Coronary vasodilator; inhibits calcium function in muscle cells in excitation-contraction coupling; proposed as antiarrhythmic and antianginal agents.diarylmethane
fenfluraminefenfluramine : A secondary amino compound that is 1-phenyl-propan-2-amine in which one of the meta-hydrogens is substituted by trifluoromethyl, and one of the hydrogens attached to the nitrogen is substituted by an ethyl group. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine was used as the hydrochloride for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension.

Fenfluramine: A centrally active drug that apparently both blocks serotonin uptake and provokes transport-mediated serotonin release.
(trifluoromethyl)benzenes;
secondary amino compound
appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
fenipentolfenipentol: stimulates plasma secretion & exocrine pancreatic secretionbenzenes
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
berotekfenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.

Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.
resorcinols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
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
fenthionfenthion : An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits acaricidal and insecticidal activities.

Fenthion: Potent cholinesterase inhibitor used as an insecticide and acaricide.
organic thiophosphateacaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
fexofenadinefexofenadine : A piperidine-based anti-histamine compound.

fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl
piperidines;
tertiary amine
anti-allergic agent;
H1-receptor antagonist
fipronil5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile : A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively.

fipronil : A racemate comprising equimolar amounts of (R)- and (S)-fipronil.

fipronil: has low mammalian toxicity; structure given in first source
(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide
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
fleroxacinfleroxacin : A fluoroquinolone antibiotic that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6, 7 and 8 by 2-fluoroethyl, carboxy, fluoro, 4-methylpiperazin-1-yl and fluoro groups, respectively. It is active against many Gram-positive and Gram-negative bacteria.

Fleroxacin: A broad-spectrum antimicrobial fluoroquinolone. The drug strongly inhibits the DNA-supercoiling activity of DNA GYRASE.
difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines
antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
floctafeninefloctafenine: was heading 1979-94 (see under ANTHRANILIC ACIDS 1979-80); use ANTHRANILIC ACIDS to search FLOCTAFENINE 1979-94; anti-inflammatory analgesic similar in action to aspirin; it inhibits prostaglandin synthesisorganic molecular entity
flopropioneflopropione: structureorganic molecular entity
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
flucytosineflucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections.

Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent.
aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone
prodrug
flufenamic 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
flumazenilflumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.

Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses.
ethyl ester;
imidazobenzodiazepine;
organofluorine compound
antidote to benzodiazepine poisoning;
GABA antagonist
flunitrazepamflunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia.

Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug.
1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes
anxiolytic drug;
GABAA receptor agonist;
sedative
fluorescitefluorescein (acid form) : A xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer.benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye
fluorescent dye;
radioopaque medium
fluorouracil5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.

Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.
nucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
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
fp 83FP 83: structure given in first sourceorganic molecular entity
fluspirileneFluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.diarylmethane
flutamideFlutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.(trifluoromethyl)benzenes;
monocarboxylic acid amide
androgen antagonist;
antineoplastic agent
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
fusaric acidFusaric Acid: A picolinic acid derivative isolated from various Fusarium species. It has been proposed for a variety of therapeutic applications but is primarily used as a research tool. Its mechanisms of action are poorly understood. It probably inhibits DOPAMINE BETA-HYDROXYLASE, the enzyme that converts dopamine to norepinephrine. It may also have other actions, including the inhibition of cell proliferation and DNA synthesis.aromatic carboxylic acid;
pyridines
gabapentingabapentin : A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome.

Gabapentin: A cyclohexane-gamma-aminobutyric acid derivative that is used for the treatment of PARTIAL SEIZURES; NEURALGIA; and RESTLESS LEGS SYNDROME.
gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
gabexateGabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.benzoate ester
gaboxadolgaboxadol: GABA agonist; inhibitor of GABA uptake systems; structureoxazole
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
gentian violetcrystal violet cation : An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group.iminium ionantibacterial agent;
antifungal agent
2,5-dihydroxybenzoic acid2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.

2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin
dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite
glafenineglafenine : A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market.

Glafenine: An anthranilic acid derivative with analgesic properties used for the relief of all types of pain.
aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gliclazideGliclazide: An oral sulfonylurea hypoglycemic agent which stimulates insulin secretion.N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
glimepirideglimepiride: structure given in first sourcesulfonamide
glipizideglipizide : An N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus.

Glipizide: An oral hypoglycemic agent which is rapidly absorbed and completely metabolized.
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines
EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
glutethimideGlutethimide: A hypnotic and sedative. Its use has been largely superseded by other drugs.piperidines
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
glybuzoleglybuzole: structureorganic molecular entity
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.
granisetronaromatic amide;
indazoles
guaifenesinGuaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.methoxybenzenes
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
guanfacineGuanfacine: A centrally acting antihypertensive agent with specificity towards ADRENERGIC ALPHA-2 RECEPTORS.acetamides
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
gw8510GW8510: 3' substituted indolone as a scaffold for the development of neuroprotective drug; structure in first source
gyki 52466GYKI 52466: an AMPA (non-NMDA) receptor antagonist; structure given in first sourcebenzodiazepine
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamideisoquinolines;
sulfonamide
n-(2-aminoethyl)-5-isoquinolinesulfonamide
1-(5-isoquinolinesulfonyl)piperazineisoquinolines
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
ha14-1ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate: a BH3 mimetic; synergistic induction of apoptosis by simultaneous disruption of the Bcl-2 and MEK/MAPK pathways in acute myelogenous leukemia1-benzopyran
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
2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether: potent inhibitor of protein kinase C; structure given in first sourcetannin
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
miltefosinemiltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.

miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin
phosphocholines;
phospholipid
anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
hexestrolstilbenoid
hexoprenalineHexoprenaline: Stimulant of adrenergic beta 2 receptors. It is used as a bronchodilator, antiasthmatic agent, and tocolytic agent.
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
hexamethylene bisacetamideN,N'-diacetyl-1,6-diaminohexane: chemical name obtained from Acta Biol Hung 1990;41(1-3):199-208acetamides
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
hydrochlorothiazidehydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.

Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.
benzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroflumethiazidehydroflumethiazide : A benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide.

Hydroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p822)
benzothiadiazine;
thiazide
antihypertensive agent;
diuretic
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
hydroxyureaone-carbon compound;
ureas
antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzinehydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.

Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine
anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
hypericin
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
ibuprofen piconolibuprofen piconol: pyridyl ester of ibuprofen; structure given in first source; RN given refers to cpd without isomeric designationorganic molecular entity
phenelzinePhenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.primary amine
lidocainelidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.

Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.
benzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
idebenone1,4-benzoquinones;
primary alcohol
antioxidant;
ferroptosis inhibitor
ifosfamideifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imetitimetit : An imidothiocarbamic ester that consists of isothiourea in which the thiol hydrogen is substituted by a 2-(imidazol-4-yl)ethyl group. An extremely potent, high affinity agonist at H3 and H4 receptors (Ki values are 0.3 and 2.7 nM respectively). Induces shape change in eosinophils with an EC50 of 25 nM. Centrally active following systemic administration.

imetit: structure given in first source
imidazoles;
imidothiocarbamic ester
H3-receptor agonist;
H4-receptor agonist
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
indapamideindapamide : A sulfonamide formed by condensation of the carboxylic group of 4-chloro-3-sulfamoylbenzoic acid with the amino group of 2-methyl-2,3-dihydro-1H-indol-1-amine.

Indapamide: A benzamide-sulfonamide-indole derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.
indoles;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic
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
indirubin-5-sulfonate
indole-3-carbinolindole-3-carbinol: occurs in edible cruciferous vegetables

indole-3-methanol : An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity.
indolyl alcoholantineoplastic agent;
plant metabolite
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
iohexoliohexol : A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position.

Iohexol: An effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality.
benzenedicarboxamide;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
iopanoic acidIopanoic Acid: Radiopaque medium used as diagnostic aid.monocarboxylic acid
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
iproniazidcarbohydrazide;
pyridines
avaproirbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.

Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.
azaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
1-methyl-3-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
isoetharineIsoetharine: Adrenergic beta-2 agonist used as bronchodilator for emphysema, bronchitis and asthma.catecholamine
isoguvacineisoguvacine: A GABA agonist; RN given refers to parent cpd; structuretetrahydropyridine
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
4-piperidinecarboxylic acid4-piperidinecarboxylic acid: structure in first source
isopropamide iodidediarylmethane
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
isoxsuprineIsoxsuprine: A beta-adrenergic agonist that causes direct relaxation of uterine and vascular smooth muscle. Its vasodilating actions are greater on the arteries supplying skeletal muscle than on those supplying skin. It is used in the treatment of peripheral vascular disease and in premature labor.alkylbenzene
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
7-amino-4-chloro-3-methoxy-2-benzopyran-1-oneisocoumarins
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
ketamineketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.

Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.
cyclohexanones;
monochlorobenzenes;
secondary amino compound
analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
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
ketotifenketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.

Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound
anti-asthmatic drug;
H1-receptor antagonist
khellinkhellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator.

Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024)
furanochromone;
organic heterotricyclic compound;
oxacycle
anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
kynurenic acidkynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.

Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.
monohydroxyquinoline;
quinolinemonocarboxylic acid
G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
benzylsuccinic acid2-benzylsuccinic acid : A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent.

benzylsuccinic acid: inhibitor of carboxypeptidase A
dicarboxylic acidbacterial xenobiotic metabolite
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
lapachollapachol : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae.
beta-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
lavendustin alavendustin A: from Streptomyces griseolavendus; structure given in first sourcearomatic amine
2-hydroxy-5-(2,5-dihydrobenzyl)aminobenzoic acidaromatic amine
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
linopirdinelinopirdine: acetylcholine releasing drugindoles
lofepramineLofepramine: A psychotropic IMIPRAMINE derivative that acts as a tricyclic antidepressant and possesses few anticholinergic properties. It is metabolized to DESIPRAMINE.aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound
antidepressant
lomustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
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
lorazepamLorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.benzodiazepine
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
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
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
mafenideMafenide: A sulfonamide that inhibits the enzyme CARBONIC ANHYDRASE and is used as a topical anti-bacterial agent, especially in burn therapy.aromatic amine
malathiondiethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group.

malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.

Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.
diester;
ethyl ester;
organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonatediisopropyl 1,3-dithiol-2-ylidenemalonate: structure in first sourceisopropyl ester
manidipinediarylmethane
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
edaravonepyrazoloneantioxidant;
radical scavenger
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
mefloquine hydrochloride[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.organofluorine compound;
piperidines;
quinolines;
secondary alcohol
mefrusideMefruside: A benzene-sulfonamide-furan. It is used as a diuretic that affects the concentrating ability of the KIDNEY, increases SODIUM CHLORIDE excretion, but may not spare POTASSIUM. It inhibits CARBONIC ANHYDRASES and may increase the blood URIC ACID level.organic molecular entity
memantineadamantanes;
primary aliphatic amine
antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
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
mephenesin1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage.

Mephenesin: A centrally acting muscle relaxant with a short duration of action.
aromatic ether;
glycerol ether
mephenytoinmephenytoin : An imidazolidine-2,4-dione (hydantoin) in which the imidazolidine nucleus carries a methyl group at N-3 and has ethyl and phenyl substituents at C-5. An anticonvulsant, it is no longer available in the USA or the UK but is still studied largely because of its interesting hydroxylation polymorphism.

Mephenytoin: An anticonvulsant effective in tonic-clonic epilepsy (EPILEPSY, TONIC-CLONIC). It may cause blood dyscrasias.
imidazolidine-2,4-dioneanticonvulsant
benzoic acid [2-methyl-2-(propylamino)propyl] esterbenzoate ester
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
metaproterenol5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol : A member of the class of resorcinols bearing an additional 1-hydroxy-2-(isopropanylamino)ethyl substituent at position 5 of resorcinol itself.

Metaproterenol: A beta-2 adrenergic agonist used in the treatment of ASTHMA and BRONCHIAL SPASM.

orciprenaline : A racemate composed of equimolar amounts of (R)- and (S)-orciprenaline. Used (as its sulfate salt) to relax the airway muscles and improve breathing for patients suffering from asthma or bronchitis.
aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
metforminmetformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.

Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289)
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
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
methazolamideMethazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.sulfonamide;
thiadiazoles
methiothepinmethiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).

Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic.
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
methocarbamol2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester.

methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer.

Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206)
aromatic ether;
carbamate ester;
secondary alcohol
methoctraminearomatic ether;
tetramine
muscarinic antagonist
doxorubicin hydrochloridefolic acids
methoxsalenmethoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.

Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.
aromatic ether;
psoralens
antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methoxychlorMethoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects.organochlorine insecticide
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
3,7-bis(dimethylamino)phenothiazin-5-ium3,7-bis(dimethylamino)phenothiazin-5-ium : An organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'.organic cation
Meticranethiochromane
methixenemethixene: RN given refers to parent cpd; structurepiperidines;
thioxanthenes
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
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
metolazonemetolazone : A quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics.

Metolazone: A quinazoline-sulfonamide derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.
organochlorine compound;
quinazolines;
sulfonamide
antihypertensive agent;
diuretic;
ion transport inhibitor
metoprololmetoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.

Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
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
metyraponemetyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.

Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.
aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mexazolamhemiaminal ether;
oxazolobenzodiazepine
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
midazolammidazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.

Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.
imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound
anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
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
minoxidilminoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.

Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371)
dialkylarylamine;
tertiary amino compound
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 9naphthalenes;
sulfonic acid derivative
moclobemidemoclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.

Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties.
benzamides;
monochlorobenzenes;
morpholines
antidepressant;
environmental contaminant;
xenobiotic
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
muscimolmuscimol : A member of the class of isoxazoles that is 1,2-oxazol-3(2H)-one substituted by an aminomethyl group at position 5. It has been isolated from mushrooms of the genus Amanita.

Muscimol: A neurotoxic isoxazole isolated from species of AMANITA. It is obtained by decarboxylation of IBOTENIC ACID. Muscimol is a potent agonist of GABA-A RECEPTORS and is used mainly as an experimental tool in animal and tissue studies.
alkaloid;
isoxazoles;
primary amino compound
fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug
1,3-dicyclohexylurea1,3-dicyclohexylurea: degradation product of 1-(2-chloroethyl)-3- cyclohexyl-1-nitrosourea; structureureas
n(1),n(11)-diethylnorspermineN(1),N(11)-diethylnorspermine: structure given in first source
n(1), n(12)-diethylspermineN(1), N(12)-diethylspermine: structure in first source

N(1),N(12)-diethylspermine : A substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group.
polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine
antineoplastic agent
lm 4108indomethacin phenethylamide: a cyclooxygenase-2 inhibitor; structure in first sourceN-acylindole
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamideN-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide: calmodulin antagonist; structure given in first source

N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide : A sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.
naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide
fidexabanFidexaban: structure in first source
acecainideAcecainide: A major metabolite of PROCAINAMIDE. Its anti-arrhythmic action may cause cardiac toxicity in kidney failure.

N-acetylprocainamide : A benzamide obtained via formal condensation of 4-acetamidobenzoic acid and 2-(diethylamino)ethylamine.
acetamides;
benzamides
anti-arrhythmia drug
ethylmaleimideEthylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor
way 151693
fg 7142FG 7142: benzodiazepine receptor agonistbeta-carbolines
n-methyldeoxynojirimycinN-methyl-1-deoxynojirimycin : A hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by a methyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits anti-HIV activity.
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
nadololtetralins
nafamostatnafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplasticbenzoic acids;
guanidines
nafronylNafronyl: A drug used in the management of peripheral and cerebral vascular disorders. It is claimed to enhance cellular oxidative capacity and to be a spasmolytic. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1310) It may also be an antagonist at 5HT-2 serotonin receptors.naphthalenes
naftopidilpiperazines
nalidixic acid1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
naphazolineNaphazoline: An adrenergic vasoconstrictor agent used as a decongestant.naphthalenes
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
nefopam5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine : A member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively.

nefopam : A racemate comprising equal amounts of (R)- and (S)-nefopam. The hydrochloride is a centrally acting non-opiate analgesic commonly used for the treatment of moderate to severe pain.

Nefopam: Non-narcotic analgesic chemically similar to ORPHENADRINE. Its mechanism of action is unclear. It is used for the relief of acute and chronic pain. (From Martindale, The Extra Pharmacopoeia, 30th ed, p26)
benzoxazocine;
tertiary amino compound
neostigmineneostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.

Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier.
quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
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
niceritrolNiceritrol: An ester of nicotinic acid that lowers cholesterol and triglycerides in total plasma and in the VLD- and LD-lipoprotein fractions.organic molecular entity
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
nifekalantamine
niflumic acidNiflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.aromatic carboxylic acid;
pyridines
nilutamide(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone
androgen antagonist;
antineoplastic agent
nilvadipinedihydropyridine;
isopropyl ester;
methyl ester;
nitrile
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
nitidinenitidine: RN given refers to parent cpd; synonym NSC 146397 refers to chloride; structurephenanthridines
nitrazepamnitrazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome).

Nitrazepam: A benzodiazepine derivative used as an anticonvulsant and hypnotic.
1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
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
nitromidenitromide: antibacterial agent for prevention & treatment of Salmonella pullorum infections in chickens & turkeys & for fowl typhoid & paratyphoid; used in feed; structure
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
cm 7116norflutoprazepam: structurebenzodiazepine
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
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-oneisoquinolines
5-nitro-2-(3-phenylpropylamino)benzoic acid5-nitro-2-(3-phenylpropylamino)benzoic acid: structure given in first source; chloride channel antagonistnitrobenzoic acid
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
nylidrinNylidrin: A beta-adrenergic agonist. Nylidrin causes peripheral vasodilation, a positive inotropic effect, and increased gastric volume of gastric juice. It is used in the treatment of peripheral vascular disorders and premature labor.alkylbenzene
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
olomoucineolomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor.

olomoucine: inhibits protein P34CDC2
2,6-diaminopurines;
ethanolamines
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
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
oxatomideoxatomide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug.

oxatomide: structure; an anti-allergic & an anti-asthmatic
benzimidazoles;
diarylmethane;
N-alkylpiperazine
anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
oxazepamoxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.

Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.
1,4-benzodiazepinone;
organochlorine compound
anxiolytic drug;
environmental contaminant;
xenobiotic
oxeladinoxeladin: RN given refers to parent cpd; structurealkylbenzene
oxethazaineamino acid amide
oxibendazoleoxibendazole: structurebenzimidazoles;
carbamate ester
oxidopamineoxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).

Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.
benzenetriol;
catecholamine;
primary amino compound
drug metabolite;
human metabolite;
neurotoxin
oxprenololOxprenolol: A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety.aromatic ether
oxybenzoneoxybenzone : A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively.hydroxybenzophenone;
monomethoxybenzene
dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
benoxinatebenoxinate: RN given refers to parent cpd; structure

oxybuprocaine : A benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology.
amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound
drug allergen;
local anaesthetic;
topical anaesthetic
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
aminosalicylic acid4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.

Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.
aminobenzoic acid;
phenols
antitubercular agent
quinone1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.

benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.

quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
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
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 1693162-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitorimidazoles
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
penfluzidepenfluzide: structure
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
periciazinepericiazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-(4-hydroxypiperidin-1-yl)propyl group at the nitrogen atom and a carbonitrile group at position 2. Periciazine is a first generation antipsychotic.

periciazine: was heading 1963-94 (Prov 1963-72); use PHENOTHIAZINES to search PROPERICIAZINE 1966-94
hydroxypiperidine;
nitrile;
phenothiazines
adrenergic antagonist;
first generation antipsychotic;
sedative
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
phenacemidephenacemide: anti-epileptic drug; structureacetamides
phenacetinSaridon: contains phenacetin, caffeine, propyphenazone & pyrithyldioneacetamides;
aromatic ether
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenazineazaarene;
heteranthrene;
mancude organic heterotricyclic parent;
phenazines;
polycyclic heteroarene
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
phenobarbitalphenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.

Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.
barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
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
phenolsulfonphthaleinphenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.

Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.
2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone
acid-base indicator;
diagnostic agent;
two-colour indicator
phenothrinphenothrin: RN given refers to cpd without isomeric designation; structurecyclopropanecarboxylate esterpyrethroid ester insecticide
phenoxybenzaminePhenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator.aromatic amine
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
Phenyliodoundecynoatebenzoate ester;
phenols
phenylmethylsulfonyl fluoridephenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group.

Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex.
acyl fluorideserine proteinase inhibitor
phloretindihydrochalconesantineoplastic agent;
plant metabolite
phosalonephosalone : A member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide.

phosalone: structure
1,3-benzoxazoles;
carbamate ester;
organochlorine insecticide;
organothiophosphate insecticide
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
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
phthalylsulfathiazolephthalylsulfathiazole : A sulfonamide incorporating 2-carboxybenzamido and 1,3-thiazol-2-yl moieties that is a broad-spectrum antibiotic indicated in the treatment of dysentery, colitis, gastroenteritis and intestinal surgery.

phthalylsulfathiazole: minor descriptor (63-86); on-line & INDEX MEDICUS search SULFATHIAZOLES (66-86); RN given refers to parent cpd
1,3-thiazoles;
dicarboxylic acid monoamide;
sulfonamide;
sulfonamide antibiotic
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamatepyrroloindole
picotamidepicotamide: has anticoagulant & fibrinolytic properties; structurebenzamides
pifithrinpifithrin: a tetrahydrobenzothiazol; inhibitor of P53 that protects mice from the side effects of cancer therapy; structure in first sourcearomatic ketone
pimobendanpimobendan: produces arterial & venous dilatation in dogs; structure given in first sourcebenzimidazoles;
pyridazinone
cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
pinacidilPinacidil: A guanidine that opens POTASSIUM CHANNELS producing direct peripheral vasodilatation of the ARTERIOLES. It reduces BLOOD PRESSURE and peripheral resistance and produces fluid retention. (Martindale The Extra Pharmacopoeia, 31st ed)pyridines
pindololpindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.

Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638)
indoles;
secondary amine
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
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
piracetamPiracetam: A compound suggested to be both a nootropic and a neuroprotective agent.organonitrogen compound;
organooxygen compound
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
potassium chloridepotassium chloride : A metal chloride salt with a K(+) counterion.

Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.
inorganic chloride;
inorganic potassium salt;
potassium salt
fertilizer
potassium iodidepotassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.

Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed)
potassium saltexpectorant;
radical scavenger
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
1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid : An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6.

pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid: a novel antagonist that selectively blocks P2 purinoceptor receptors; a useful tool to study co-transmission in tissues when ATP and coexisting neurotransmitters act in concert
arenesulfonic acid;
azobenzenes;
methylpyridines;
monohydroxypyridine;
organic phosphate;
pyridinecarbaldehyde
purinergic receptor P2X antagonist
practololpractolol : N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias.

Practolol: A beta-1 adrenergic antagonist that has been used in the emergency treatment of CARDIAC ARRYTHMIAS.
acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound
anti-arrhythmia drug;
beta-adrenergic antagonist
duodoteduodote: consists of atropine and pralidoxime chloride; for treating those exposed to organophosphorus-containing nerve agentspyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
ono 1078pranlukast: SRS-A antagonist; leukotriene D4 receptor antagonistchromones
pyranoprofenpyranoprofen: RN given refers to unlabled parent cpd; structure given in first sourcepyridochromene
praziquantelazinox: Russian drugisoquinolines
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
primidoneprimidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures.

Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite.
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
proadifenProadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.diarylmethane
probenecidprobenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.

Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.
benzoic acids;
sulfonamide
uricosuric drug
probucolprobucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood.

Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).
dithioketal;
polyphenol
anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
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
procaineprocaine : A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.

Procaine: A local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016).
benzoate ester;
substituted aniline;
tertiary amino compound
central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
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
procyclidineprocyclidine : A tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3.

Procyclidine: A muscarinic antagonist that crosses the blood-brain barrier and is used in the treatment of drug-induced extrapyramidal disorders and in parkinsonism.
pyrrolidines;
tertiary alcohol
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
proglumetacinproglumetacin : A carboxylic ester obtained by formal condensation of the carboxy group of indometacin with the hydroxy group of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate. Used (as its dimaleate salt) to control pain and inflammation associated with musculoskeletal and joint disorders. Following oral administration, it is metabolised to indometacin and proglumide, a drug with antisecretory effects that helps prevent injury to the stomach lining.aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
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
protokylolprotokylol: RN given refers to parent cpd; synonym caytine refers to HCl; structurebenzodioxoles
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
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
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
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
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
ranitidinearalkylamine
hydrochlorothiazideyohimban alkaloid
resorcinolresorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.

resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951
benzenediol;
phenolic donor;
resorcinols
erythropoietin inhibitor;
sensitiser
resveratrolpolyphenol;
resorcinols;
stilbenol
antioxidant;
geroprotector;
glioma-associated oncogene inhibitor;
phytoalexin
pf 5901alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonistquinolines
riluzoleRiluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.benzothiazoles
rimantadineRimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.alkylamine
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 15-4513Ro 15-4513: a partial inverse agonist of benzodiazepine receptorsorganic heterotricyclic compound;
organonitrogen heterocyclic compound
ro 31-8220Ro 31-8220: a protein kinase C inhibitorimidothiocarbamic ester;
indoles;
maleimides
EC 2.7.11.13 (protein kinase C) inhibitor
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
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
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
salicyl alcoholsalicyl alcohol : A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2.

salicyl alcohol: RN given refers to parent cpd; saligenin is the aglycone of salicin; structure; it is oxidatively metabolized to gentisic acid
aromatic primary alcohol;
hydroxybenzyl alcohol
human urinary metabolite
salicylamidesalamide: a major impurity of hydrochlorothiazide; structure in first sourcephenols;
salicylamides
antirheumatic drug;
non-narcotic analgesic
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
salicylsalicylic acidsalicylsalicylic acid: structure

salsalate : A dimeric benzoate ester obtained by intermolecular condensation between the carboxy of one molecule of salicylic acid with the phenol group of a second. It is a prodrug for salycylic acid that is used for treatment of rheumatoid arthritis and osteoarthritis and also shows activity against type II diabetes.
benzoate ester;
benzoic acids;
phenols;
salicylates
antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
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
scriptaidscriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first sourceisoquinolines
secobarbitalsecobarbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups.

Secobarbital: A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity.
barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
silymarinflavonolignan
sulfadiazinediazine : The parent structure of the diazines.

sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.

Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.
pyrimidines;
substituted aniline;
sulfonamide;
sulfonamide antibiotic
antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
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;
xenobiotic
simazinesimazine : A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.

Simazine: A triazine herbicide.
chloro-1,3,5-triazine;
diamino-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
simfibratesimfibrate: structureorganic molecular entity
sodium fluoridefluoride saltmutagen
sodium iodidesodium iodide : A metal iodide salt with a Na(+) counterion.

Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.
inorganic sodium salt;
iodide salt
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
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
spiroxatrinespiroxatrine: structureimidazolidines
sq 225369-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.nucleoside analogue;
oxolanes
EC 4.6.1.1 (adenylate cyclase) inhibitor
ponalrestatphthalazines
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
ACar 18-0O-acylcarnitine
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
succinylsulfathiazolesuccinylsulfathiazole: intestinal antimicrobial agent; structure1,3-thiazoles
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
sulfabenzamidesulfabenzamide : A sulfonamide containing a benzamido substituent on nitrogen. An antibacterial/antimicrobial, it is often used in conjunction with sulfathiazole and sulfacetamide as a topical, intravaginal antibacterial preparation.benzenes;
sulfonamide;
sulfonamide antibiotic
antibacterial drug;
antimicrobial drug
sulfacetamidesulfacetamide : A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen.

Sulfacetamide: An anti-bacterial agent that is used topically to treat skin infections and orally for urinary tract infections.
N-sulfonylcarboxamide;
substituted aniline
antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfadimethoxinesulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.

Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide;
sulfonamide antibiotic
antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
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
sulfamerazinepyrimidines;
sulfonamide;
sulfonamide antibiotic
antiinfective agent;
drug allergen
sulfamethazinesulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.

Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.
pyrimidines;
sulfonamide;
sulfonamide antibiotic
antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethizolesulfamethizole : A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2.

Sulfamethizole: A sulfathiazole antibacterial agent.
sulfonamide;
sulfonamide antibiotic;
thiadiazoles
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
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
sulfanitransulfonamide
sulfaphenazolesulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.

Sulfaphenazole: A sulfonilamide anti-infective agent.
primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide;
sulfonamide antibiotic
antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfapyridinesulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position.

Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases.
pyridines;
substituted aniline;
sulfonamide;
sulfonamide antibiotic
antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfaquinoxalineSulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis.benzenes;
sulfonamide
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
sulfisoxazolesulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.

Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.
isoxazoles;
sulfonamide;
sulfonamide antibiotic
antibacterial drug;
drug allergen
sulforaphanesulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.

sulforaphane: from Cardaria draba L.
isothiocyanate;
sulfoxide
antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-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
sulthiamesulthiame: was heading 1964-94 (see under THIAZINES 1964-90); use THIAZINES to search SULTHIAME 1966-94organic molecular entity
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
suprofensuprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.

Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic.
aromatic ketone;
monocarboxylic acid;
thiophenes
antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
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
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanaminestilbenoid
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
tazarotenetazarotene : The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin.

tazarotene: a topical acetylenic retinoid; a topical kerytolytic
acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane
keratolytic drug;
prodrug;
teratogenic agent
telenzepinetelenzepine: structure given in first sourcebenzodiazepine
temazepamTemazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.benzodiazepine
temefosTemefos: An organothiophosphate insecticide.

temephos : An organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group.
organic sulfide;
organic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
ectoparasiticide
temozolomideimidazotetrazine;
monocarboxylic acid amide;
triazene derivative
alkylating agent;
antineoplastic agent;
prodrug
terazosinTerazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasiafurans;
piperazines;
primary amino compound;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terbutalineterbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.

Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.
phenylethanolamines;
resorcinols
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
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
tetracainetetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.

Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia.
benzoate ester;
tertiary amino compound
local anaesthetic
tetraethylammoniumTetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90)quaternary ammonium ion
tetrahydroxy-1,4-quinonetetrahydroxy-1,4-benzoquinone : A hydroxybenzoquinone in which all four protons of the benzoquinone structure are substituted by hydroxy groups. A systemic keratolytic, it is normally supplied as its hydrate (CHEBI:137471).

tetrahydroxy-1,4-quinone: structure
hydroxybenzoquinonekeratolytic drug
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
2,4-thiazolidinedione1,3-thiazolidine-2,4-dione : A thiazolidenedione carrying oxo substituents at positions 2 and 4.

thiazolidine-2,4-dione: structure in first source
thiazolidenedione
thiethylperazinethiethylperazine : A member of the class of phenothiazines that is perazine substituted by a ethylsulfanyl group at position 2.

Thiethylperazine: A dopamine antagonist that is particularly useful in treating the nausea and vomiting associated with anesthesia, mildly emetic cancer chemotherapy agents, radiation therapy, and toxins. This piperazine phenothiazine does not prevent vertigo or motion sickness. (From AMA Drug Evaluations Annual, 1994, p457)
N-methylpiperazine;
phenothiazines
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
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
thiotepaThiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed).aziridines
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
tiapridebenzamides
tiaprofenic acidtiaprofenic acid : An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.

tiaprofenic acid: RN given refers to parent cpd; structure
aromatic ketone;
monocarboxylic acid;
thiophenes
drug allergen;
non-steroidal anti-inflammatory drug
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
tiloronetilorone : A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug.

Tilorone: An antiviral agent used as its hydrochloride. It is the first recognized synthetic, low-molecular-weight compound that is an orally active interferon inducer, and is also reported to have antineoplastic and anti-inflammatory actions.
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
tinidazoletinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent.

Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections.
imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tinoridinetinoridine: proposed anti-inflammatory agent; minor descriptor (75-86); on-line & INDEX MEDICUS seach PYRIDINES (75-86)thienopyridine
tioconazole1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2.

tioconazole : A racemate comprising equimolar amounts of (R)- and (S)-tioconazole.
dichlorobenzene;
ether;
imidazoles;
thiophenes
tizanidinetizanidine : 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites.

tizanidine: RN given refers to parent cpd; structure
benzothiadiazole;
imidazoles
alpha-adrenergic agonist;
muscle relaxant
nikethamideNikethamide: A central nervous system stimulant. It was formerly used in the treatment of barbiturate overdose but is now considered to be of no value for such purposes and may be dangerous. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1229)pyridinecarboxamide
tolazamidetolazamide : An N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus.

Tolazamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE.
N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolazolinetolazoline : A member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group.

Tolazoline: A vasodilator that apparently has direct actions on blood vessels and also increases cardiac output. Tolazoline can interact to some degree with histamine, adrenergic, and cholinergic receptors, but the mechanisms of its therapeutic effects are not clear. It is used in treatment of persistent pulmonary hypertension of the newborn.
imidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
tolbutamidetolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.

Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290)
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolciclatetolciclate: structuremonothiocarbamic esterantifungal drug
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
tolnaftatemonothiocarbamic esterantifungal drug
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid: a GABA-C receptor antagonist; structure in first source
ici 136,753pyrazolopyridine
tranexamic acidTranexamic Acid: Antifibrinolytic hemostatic used in severe hemorrhage.amino acid
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acidamidobenzoic acid;
cinnamamides;
secondary carboxamide
trapidilTrapidil: A coronary vasodilator agent.triazolopyrimidines
trazodonetrazodone : An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group.

Trazodone: A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309)
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
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
trichlormethiazidetrichlormethiazide : A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension.

Trichlormethiazide: A thiazide diuretic with properties similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830)
benzothiadiazine;
sulfonamide antibiotic
antihypertensive agent;
diuretic
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
trientine2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens.

TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.

Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.
polyazaalkane;
tetramine
copper chelator
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
trimebutineTrimebutine: Proposed spasmolytic with possible local anesthetic action used in gastrointestinal disorders.trihydroxybenzoic acid
trimeprazineTrimeprazine: A phenothiazine derivative that is used as an antipruritic.phenothiazines
trimethadionetrimethadione : An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent.

Trimethadione: An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378)
oxazolidinoneanticonvulsant;
geroprotector
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
trimetrexateTrimetrexate: A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect.
trioxsalenantipsoriatic : A drug used to treat psoriasis.

lactone : Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.

trioxsalen : 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis.

Trioxsalen: Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo.
psoralensdermatologic drug;
photosensitizing agent
troglitazoneTroglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity.chromanes;
thiazolidinone
anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
tropicamideTropicamide: One of the MUSCARINIC ANTAGONISTS with pharmacologic action similar to ATROPINE and used mainly as an ophthalmic parasympatholytic or mydriatic.acetamides
thenoyltrifluoroacetoneThenoyltrifluoroacetone: Chelating agent and inhibitor of cellular respiration.
tulobuterolorganochlorine compound
tyrphostin a9alkylbenzenegeroprotector
delavirdinedelavirdine : The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.

Delavirdine: A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.
aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide
antiviral drug;
HIV-1 reverse transcriptase inhibitor
undecylenic acid10-undecenoic acid : An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems.

undecenoic acid : A C11, straight-chain fatty acid carrying a C=C double bond at any position.

undecylenic acid: a fatty acid with a terminal double bond
undecenoic acidantifungal drug;
plant metabolite
urapidilpiperazines
urethanecarbamate esterfungal metabolite;
mutagen
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-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
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
w 7W 7: RN given refers to parent cpd; structure; calmodulin antagonist
wb 4101N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist.aromatic ether;
benzodioxine;
secondary amino compound
alpha-adrenergic antagonist
whi p180
pirinixic acidpirinixic acid: structurearyl sulfide;
organochlorine compound;
pyrimidines
xylazinexylazine : A methyl benzene that is 1,3-dimethylbenzene which is substituted by a 5,6-dihydro-4H-1,3-thiazin-2-ylnitrilo group at position 2. It is an alpha2 adrenergic receptor agonist and frequently used in veterinary medicine as an emetic and sedative with analgesic and muscle relaxant properties.

Xylazine: An adrenergic alpha-2 agonist used as a sedative, analgesic and centrally acting muscle relaxant in VETERINARY MEDICINE.
1,3-thiazine;
methylbenzene;
secondary amino compound
alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
xylometazolinexylometazoline: RN given refers to parent cpd; structurealkylbenzene
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
ici 204,219zafirlukast: a leukotriene D4 receptor antagonistcarbamate ester;
indoles;
N-sulfonylcarboxamide
anti-asthmatic agent;
leukotriene antagonist
zaleplonzaleplon : A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position.

zaleplon: an azabicyclo(4.3.0)nonane; a nonbenzodiazepine; one of the so-called of Z drugs (zopiclone, eszopiclone, zolpidem, and zaleplon) for which there is some correlation with tumors; a hypnotic with less marked effect on psychomotor functions compared to lorazepam
nitrile;
pyrazolopyrimidine
anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
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
fr 74366
zm 336372N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first sourcebenzamides
zolpidemzolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.

Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.
imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zomepiraczomepirac: RN given refers to parent cpd; structurearomatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles
cardiovascular drug;
non-steroidal anti-inflammatory drug
zonisamidezonisamide : A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.

Zonisamide: A benzisoxazole and sulfonamide derivative that acts as a CALCIUM CHANNEL blocker. It is used primarily as an adjunctive antiepileptic agent for the treatment of PARTIAL SEIZURES, with or without secondary generalization.
1,2-benzoxazoles;
sulfonamide
anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
zopiclonezopiclone : A pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position.

zopiclone: S(+)-enantiomer of racemic zopiclone; azabicyclo(4.3.0)nonane; a nonbenzodiazepine; one of the so-called of Z drugs (zopiclone, eszopiclone, zolpidem, and zaleplon) for which there is some correlation with tumors; was term of zopiclone 2004-2007
monochloropyridine;
pyrrolopyrazine
central nervous system depressant;
sedative
guanidine hydrochlorideone-carbon compound;
organic chloride salt
protein denaturant
hydrocortisone acetatehydrocortisone acetate: RN given refers to cpd without isomeric designationcortisol ester;
tertiary alpha-hydroxy ketone
cortisone acetateCortisone Acetate: The acetate ester of cortisone that is used mainly for replacement therapy in adrenocortical insufficiency and in the treatment of many allergic and inflammatory disorders.corticosteroid hormone
corticosterone11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
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
estriolchlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.

hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid
estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
lysergic acid 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
reserpinereserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.

Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.
alkaloid ester;
methyl ester;
yohimban alkaloid
adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
cephaloridinecefaloridine : A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C.

Cephaloridine: A cephalosporin antibiotic.
beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug
phentolaminephentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.

Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.
imidazoles;
phenols;
substituted aniline;
tertiary amino compound
alpha-adrenergic antagonist;
vasodilator agent
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
thymidinepyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
piperonyl butoxidebenzodioxolespesticide synergist
benzimidazole1H-benzimidazole : The 1H-tautomer of benzimidazole.benzimidazole;
polycyclic heteroarene
3,3',5-triiodothyroacetic acidtiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome.
3,3',5-triiodothyropropionic acidaromatic ether
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
thyroxinethyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.

Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.
2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine;
thyroxine zwitterion
antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
spironolactonespironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.

Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827)
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
aldosterone11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde
human metabolite;
mouse metabolite
penicillaminepenicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group.

Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.
non-proteinogenic alpha-amino acid;
penicillamine
antirheumatic drug;
chelator;
copper chelator;
drug allergen
lynestrenolLynestrenol: A synthetic progestational hormone used often in mixtures with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL).steroid
famophosfamophos: structureorganic thiophosphate;
organothiophosphate insecticide
agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
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
methylprednisolone acetatemethylprednisolone acetate : An acetate ester resulting from the formal condensation of the 21-hydroxy function of 6alpha-methylprednisolone compound with acetic acid.

Methylprednisolone Acetate: Methylprednisolone derivative that is used as an anti-inflammatory agent for the treatment of ALLERGY and ALLERGIC RHINITIS; ASTHMA; and BURSITIS; and for the treatment of ADRENAL INSUFFICIENCY.
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
glucocorticoid;
steroid ester;
tertiary alpha-hydroxy ketone
anti-inflammatory drug
androsterone17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid
androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
etiocholanolone3alpha-hydroxy-5beta-androstan-17-one : An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals.

Etiocholanolone: The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian species including humans. It is excreted in the URINE.
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid
human metabolite;
mouse metabolite
dehydroepiandrosteronedehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.

Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid
androgen;
human metabolite;
mouse metabolite
promazine hydrochloridehydrochloride
17-desoxyestradiolestra-1,3,5(10)-trien-3-ol : A 3-hydroxy steroid resulting from deoxygenation at position 17 of estradiol or estrone.3-hydroxy steroid;
phenolic steroid;
phenols
estrogen
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.
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
penicillin gbenzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.

Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.
penicillin;
penicillin allergen
antibacterial drug;
drug allergen;
epitope
metaraminolmetaraminol : A member of the class of phenylethanolamines that is 2-amino-1-phenylethanol substituted by a methyl group at position 2 and a phenolic hydroxy group at position 1. A sympathomimetic agent , it is used in the treatment of hypotension.

Metaraminol: A sympathomimetic agent that acts predominantly at alpha-1 adrenergic receptors. It has been used primarily as a vasoconstrictor in the treatment of HYPOTENSION.
phenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
pentylenetetrazolepentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.

Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.
organic heterobicyclic compound;
organonitrogen heterocyclic compound
triiodothyronine3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.

Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
isonicotinic acidisonicotinic acid : A pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring.pyridinemonocarboxylic acidalgal metabolite;
human metabolite
methyldimethylaminoazobenzene3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen.

Methyldimethylaminoazobenzene: A very potent liver carcinogen.
mechlorethamine hydrochloridemechlorethamine hydrochloride : The hydrochloride salt of mechlorethamine.hydrochlorideantineoplastic agent
isoflurophateIsoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM.dialkyl phosphate
cystamine dihydrochloride
carbon tetrachlorideCarbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed)

tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.
chlorocarbon;
chloromethanes
hepatotoxic agent;
refrigerant
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
alaninealanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.

Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.
alanine;
alanine zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid
EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
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
desoxycorticosterone acetateDesoxycorticosterone Acetate: The 21-acetate derivative of desoxycorticosterone.corticosteroid hormone
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
lysineL-lysine : An L-alpha-amino acid; the L-isomer of lysine.

lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.

Lysine: An essential amino acid. It is often added to animal feed.
aspartate family amino acid;
L-alpha-amino acid;
L-alpha-amino acid zwitterion;
lysine;
organic molecular entity;
proteinogenic amino acid
algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
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
cyanidescyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.

cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.

Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.

isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).
pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor
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
physostigminePhysostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.carbamate ester;
indole alkaloid
antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
sulfamic acidsulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.

sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure
sulfamic acids
sucroseSaccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
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
testosterone propionateandrogen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.

Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position.
steroid ester
tubocurarineisoquinoline alkaloid : Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.

tubocurarine : A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.

Tubocurarine: A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.
bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
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
methyltestosteronemethyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.

Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL).
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone
anabolic agent;
androgen;
antineoplastic agent
promethazine hydrochloridehydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
adenosine diphosphateAdenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
fundamental metabolite;
human metabolite
cephalothincefalotin : A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections.

Cephalothin: A cephalosporin antibiotic.
azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes
antibacterial drug;
antimicrobial agent
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
kanamycin akanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components.

Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.
kanamycinsbacterial metabolite
ethopabateEthopabate: An inhibitor of folate metabolism. It is used as a coccidiostat in poultry.amidobenzoic acid
galactosegalactopyranose : The pyranose form of galactose.D-galactose;
galactopyranose
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
edetic acidEdetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid
anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
p-aminoazobenzene4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen.

p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines.
tyrosinetyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.

Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine
EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
cysteaminecysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.

Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.
amine;
thiol
geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
phlorhizinaryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative
antioxidant;
plant metabolite
acepromazineacepromazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10.

Acepromazine: A phenothiazine that is used in the treatment of PSYCHOSES.
aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound
phenothiazine antipsychotic drug
methoxaminemethoxamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group and the phenyl ring is 2- and 5-substituted with methoxy groups. It is an antihypotensive agent (pressor), an agonist acting directly at alpha-adrenoceptors with selectivity for the alpha-1 adrenoceptor subtype similar to phenylephrine .

Methoxamine: An alpha-1 adrenergic agonist that causes prolonged peripheral VASOCONSTRICTION.
amphetaminesalpha-adrenergic agonist;
antihypotensive agent
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
cloxacillincloxacillin : A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6.

Cloxacillin: A semi-synthetic antibiotic that is a chlorinated derivative of OXACILLIN.
penicillin;
penicillin allergen;
semisynthetic derivative
antibacterial agent;
antibacterial drug
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
4-toluenesulfonic acid4-toluenesulfonic acid: RN given refers to parent cpd; other RNs in 9th CI Form Index

toluene-4-sulfonic acid : An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group.
arenesulfonic acid;
toluenes
zoxazolamineZoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood.benzoxazole
leucineleucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.

Leucine: An essential branched-chain amino acid important for hemoglobin formation.
amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
berlition(R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties.

berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes

lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid
cofactor;
nutraceutical;
prosthetic group
androstenedioneandrost-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.

Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
cytidine monophosphatecytidine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase.

Cytidine Monophosphate: Cytidine (dihydrogen phosphate). A cytosine nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.
cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-monophosphate
Escherichia coli metabolite;
human metabolite;
mouse metabolite
lactosebeta-lactose : The beta-anomer of lactose.

lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.

Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.
lactose
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
desoxycorticosteroneDesoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
colchicine(S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.alkaloid;
colchicine
anti-inflammatory agent;
gout suppressant;
mutagen
cytidinecytidinesEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
oxacillinoxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta.

Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.
penicillinantibacterial agent;
antibacterial drug
cycloheximidecycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.

Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol
anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
triamcinolone diacetatetriamcinolone diacetate: lysyl oxidase antagonist; Polcortolon may also refers to triamcinolonecorticosteroid hormone
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
sodium citrate, anhydroussodium citrate : The trisodium salt of citric acid.

Sodium Citrate: Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.
organic sodium saltanticoagulant;
flavouring agent
norethindroneNorethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.

norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol
progestin;
synthetic oral contraceptive
cycloserineCycloserine: Antibiotic substance produced by Streptomyces garyphalus.

D-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion
antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
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
chlorpromazine hydrochloridehydrochloride;
phenothiazines
anticoronaviral agent;
phenothiazine antipsychotic drug
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
cytarabinebeta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside
antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
trifluridinetrifluridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis.

Trifluridine: An antiviral derivative of THYMIDINE used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to HERPES SIMPLEX virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557)
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
ticlatonebenzothiazoles
phenacyl bromidephenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2.

phenacyl bromide: structure
acetophenones;
alpha-bromoketone
metabolite
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-toluenesulfonamide4-toluenesulfonamide: RN given refers to parent cpd

toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4.
sulfonamide
4-hydroxypropiophenoneacetophenones
histidinehistidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.

Histidine: An essential amino acid that is required for the production of HISTAMINE.

L-histidine : The L-enantiomer of the amino acid histidine.
amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
medroxyprogesterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester
adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
veratridinesteroidsodium channel modulator
valineL-valine : The L-enantiomer of valine.

valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.

Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.
L-alpha-amino acid;
L-alpha-amino acid zwitterion;
proteinogenic amino acid;
pyruvate family amino acid;
valine
algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
mestranol17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound
prodrug;
xenoestrogen
alizarindihydroxyanthraquinonechromophore;
dye;
plant metabolite
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
isoleucineisoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.

Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.

L-isoleucine : The L-enantiomer of isoleucine.
aspartate family amino acid;
isoleucine;
L-alpha-amino acid;
L-alpha-amino acid zwitterion;
proteinogenic amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
quinethazonequinethazone : A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 6 and 7 by ethyl, sulfamoyl and chloro groups respectively; a thiazide-like diuretic used to treat hypertension.

quinethazone: RN given for cpd without isomeric designation
quinazolinesantihypertensive agent;
diuretic
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
azovioletazoviolet: commonly used to determine magnesium; structure in first source
iodoformiodomethanes
tetramethylammonium chlorideorganic molecular entity
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
triamcinolone acetonidetriamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.

Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
mepenzolate bromidediarylmethane
gibberellic acidgibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure

gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound
mouse metabolite;
plant metabolite
phencyclidinephencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.

Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.
benzenes;
piperidines
anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
chlorphenoxaminechlorphenoxamine: minor descriptor (66-84); on-line & Index Medicus search ETHYLAMINES (66-84); RN given refers to parent cpddiarylmethaneanticoronaviral agent
2-acetyltributylcitrateorganooxygen compound
quinic acid(-)-quinic acid : The (-)-enantiomer of quinic acid.
triparanolTriparanol: Antilipemic agent with high ophthalmic toxicity. According to Merck Index, 11th ed, the compound was withdrawn from the market in 1962 because of its association with the formation of irreversible cataracts.stilbenoidanticoronaviral agent
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
dimethisteroneDimethisterone: A synthetic progestational hormone without significant estrogenic or androgenic properties. It was formerly used as the progestational component in SEQUENTIAL ORAL CONTRACEPTIVE AGENTS3-hydroxy steroidandrogen
pantothenic acid(R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.

(R)-pantothenic acid : A pantothenic acid having R-configuration.

pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.

Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.

vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.
pantothenic acid;
vitamin B5
antidote to curare poisoning;
geroprotector;
human blood serum metabolite
tetrabromobisphenol a3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.

tetrabromobisphenol A: a brominated flame retardant
brominated flame retardant;
bromobisphenol
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
4,4'-dichlorodiphenyl sulfone
sulfachlorpyridazinesulfachloropyridazine : A sulfonamide antimicrobial used for urinary tract infections and in veterinary medicine.

Sulfachlorpyridazine: A sulfonamide antimicrobial used for urinary tract infections and in veterinary medicine.
organochlorine compound;
pyridazines;
sulfonamide
antibacterial drug;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
p-tert-amylphenolp-tert-amylphenol: RN given refers to parent cpdalkylbenzene
acetyl sulfisoxazolebenzenes;
sulfonamide
taurocholic acidtaurocholate : An organosulfonate oxoanion that is the conjugate base of taurocholic acid.

taurocholic acid : A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals.

Taurocholic Acid: The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.
amino sulfonic acid;
bile acid taurine conjugate
human metabolite
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
diphenadionediphenadione: major descriptor (66-86); on-line search PHENINDIONE (66-74); PHENINDIONE/AA (75-86); INDEX MEDICUS search DIPHENADIONE (66-86); RN given refers to parent cpdbeta-triketone;
diarylmethane
acenaphthenequinoneacenaphthoquinone : An orthoquinone that is the 1,2-dioxo derivative of acenaphthene.orthoquinoneschain carrier;
epitope
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
3-methylsalicylic acid3-methylsalicylic acid : A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position.monohydroxybenzoic acidbacterial xenobiotic metabolite
methylprednisolone6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.

Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
vitamin k5vitamin k5: RN given refers to parent cpdnaphthols
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
skimmianineskimmianine: furanoquinoline alkaloid from Teclea (RUTACEAE)alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
9,10-phenanthrenequinone9,10-phenanthrenequinone: structurephenanthrenes
2-methylanthraquinone2-methylanthraquinone : An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group.

2-methylanthraquinone: form Morinda officinalis How.
anthraquinone
diethyl phthalatediethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid.

diethyl phthalate: structure
diester;
ethyl ester;
phthalate ester
neurotoxin;
plasticiser;
teratogenic agent
8-hydroxyquinoline-5-sulfonic acid8-hydroxyquinoline-5-sulfonic acid: RN given refers to parent cpd
1-naphthylamine-5-sulfonic acid1-naphthylamine-5-sulfonic acid: fluorophore used for fluorescent nucleotide substratesnaphthalenesulfonic acid
benzoic anhydride2-benzoylbenzoic acid: structure in first source
brompheniraminebrompheniramine : Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.

Brompheniramine: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria.
organobromine compound;
pyridines
anti-allergic agent;
H1-receptor antagonist
phensuximidephensuximide: major descriptor (73-84); on-line search SUCCINIMIDES (73-84); Index Medicus search PHENSUXIMIDE (73-84); RN given refers to cpd without isomeric designationpyrrolidines
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-hydroxy-2-naphthoic acid1-hydroxy-2-naphthoic acid : A naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms.

1-hydroxy-2-naphthoic acid: RN given refers to parent cpd
hydroxy monocarboxylic acid;
naphthoic acid;
naphthols
bacterial xenobiotic metabolite;
fungal xenobiotic metabolite
dimethisoquinisoquinolines
7-amino-4-hydroxy-2-naphthalenesulfonic acid7-amino-4-hydroxy-2-naphthalenesulfonic acid : An aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively.

7-amino-4-hydroxy-2-naphthalenesulfonic acid: structure given in first source
aminonaphthalenesulfonic acid;
naphthols
metabolite
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
5-bromoisatinindolesanticoronaviral agent
thiophene-3-carboxylic acidthiophene-3-carboxylic acid: structure in first source
2,2'-methylenebis(ethyl-6-tert-butylphenol)
anthranilamidesubstituted aniline
2-isopropylphenol2-isopropylphenol : A member of the class of phenols carrying an isopropyl group at position 2.

2-isopropylphenol: structure given in first source
phenols
2-nitrotoluenenitrotoluene : Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring.mononitrotoluenecarcinogenic agent;
environmental contaminant
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-naphthol-8-amino-3,6-disulfonic acid1-naphthol-8-amino-3,6-disulfonic acid: dye and found in industrial waste
1-naphthylphenylamineN-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structurenaphthalenes
aminacrine9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections.

Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.
aminoacridines;
primary amino compound
acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen
xanthonexanthone : The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9.xanthonesinsecticide
beta-glucono-1,5-lactonebeta-glucono-1,5-lactone: structure

D-glucono-1,5-lactone : An aldono-1,5-lactone obtained from D-gluconic acid.
aldono-1,5-lactone;
gluconolactone
animal metabolite;
mouse metabolite
pseudoephedrinepseudoephedrine : A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group.

Pseudoephedrine: A phenethylamine that is an isomer of EPHEDRINE which has less central nervous system effects and usage is mainly for respiratory tract decongestion.
phenylethanolamines;
secondary alcohol;
secondary amino compound
anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
pyrogallol 1,3-dimethyl ether2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6.

pyrogallol 1,3-dimethyl ether: structure
dimethoxybenzene;
phenols
plant metabolite
veratroledimethoxybenzene : Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.

veratrole : A dimethoxybenzene with the methoxy groups at ortho-positions.

veratrole: structure
dimethoxybenzeneplant metabolite
1,2,3,4-tetrahydroisoquinoline1,2,3,4-tetrahydroisoquinoline: RN given refers to cpd with locants as specifiedisoquinolines
uvitex swnUvitex SWN: optical brightner from Ciba; structure7-aminocoumarinsfluorochrome
isatintribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;indoledioneEC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
2-methylquinoline2-methylquinoline: RN given refers to parent cpd

methylquinoline : Any member of the class of quinolines carrying at least one methyl substituent.

quinaldine : A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group.
quinolines
tolonium chloridetolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques.

Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery.
pyroninepyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method.

Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.
iminium salt;
organic chloride salt
histological dye
dehydrothio-4-toluidinedehydrothio-4-toluidine: structure in first source
phenidonephenidone: photographic developer; RN given refers to parent cpd; structure
6-methylcoumarin6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group.

6-methylcoumarin: synthetic fragrance causing contact photoallergy
coumarinsallergen;
fragrance
diphenyldiphenyl: RN given refers to unlabeled cpd; structurearomatic fungicide;
benzenes;
biphenyls
antifungal agrochemical;
antimicrobial food preservative
phenylpiperazinephenylpiperazine: RN given refers to parent cpd
proflavine3,6-diaminoacridine : An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds.

Proflavine: Topical antiseptic used mainly in wound dressings.
aminoacridinesantibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator
4-phenylphenol4-phenylphenol: RN given refers to cpd without isomeric designation

biphenyl-4-ol : A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4.
hydroxybiphenyls
xanthenesXanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.xanthene
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
4,4'-dihydroxybiphenylbiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'.hydroxybiphenyls
veratric acid3,4-dimethoxybenzoic acid : A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3.

veratric acid: RN given refers to parent cpd; structure
benzoic acidsallergen;
plant metabolite
acetyleugenolacetyleugenol: from cloves; inhibits arachidonate-, adrenaline-, & collagen-induced platelet aggregationbenzoate ester;
phenols
benzanilide
synephrineethanolamines;
phenethylamine alkaloid;
phenols
alpha-adrenergic agonist;
plant metabolite
propyl 4-aminobenzoatepropyl 4-aminobenzoate: RN given refers to parent cpd
propylparabenParabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)benzoate ester;
paraben;
phenols
antifungal agent;
antimicrobial agent
isocaine
sulfaethidolesulfaethidole: minor descriptor (66-86); on-line & INDEX MEDICUS search SULFATHIAZOLES (66-86); RN given refers to parent cpdbenzenes;
sulfonamide
butylparabenorganic molecular entity
bis(1-piperidylthiocarbonyl)disulfidebis(1-piperidylthiocarbonyl)disulfide: indicator for analysis of copper; structure
nicotinic acid benzyl esterbenzyl nicotinate : A benzyl ester resulting from the formal condensation of the carboxy group of nicotinic acid with benzyl alcohol. It has been used as a rubefacient.

nicotinic acid benzyl ester: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6344
benzyl estervasodilator agent
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
thiohexamthiohexam: rubber cure accelerator
1,2-diaminobenzene1,2-diaminobenzene: RN given refers to parent cpd

1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other.
phenylenediaminehydrogen donor
2-bromophenolbromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms.bromophenolmarine metabolite
3,4-xylidine3,4-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B2, dyes, pesticides and other chemicals.dimethylaniline;
primary arylamine
3,4-dimethylphenol3,4-dimethylphenol: RN given refers to parent cpd

3,4-xylenol : A member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4.
phenols
4-chloro-1,2-diaminobenzene4-chloro-1,2-diaminobenzene: RN given refers to parent cpdmonochlorobenzenes
2,4-di-tert-butylphenol2,4-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4.

2,4-di-tert-butylphenol: structure given in first source
alkylbenzene;
phenols
antioxidant;
bacterial metabolite;
marine metabolite
iophenoxic acidiophenoxic acid: structurebenzenes;
monocarboxylic acid
4-methyl-3-nitrobenzoic acid4-methyl-3-nitrobenzoic acid: a migration inhibitor, prevents breast cancer metastasis in SCID mice
sulfosalicylic acid5-sulfosalicylic acid : An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.arenesulfonic acid;
benzoic acids;
phenols
metabolite
fentichlorfentichlor: structure

fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.
aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol
antiinfective agent;
drug allergen
1,3-ditolylguanidine1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the braintoluenes
tetramethylthiuram monosulfide
benzenearsonic acidbenzenearsonic acid: RN given refers to parent cpd; structurearsonic acids;
organoarsonic acid
benzenesulfonamidesulfonamide
p-tert-butyl catechol
nitrobenzenenitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.nitroarene;
nitrobenzenes
3-hydroxybenzoic acid3-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc.

3-hydroxybenzoic acid: RN given refers to parent cpd
monohydroxybenzoic acidbacterial metabolite;
plant metabolite
alpha-resorcylic acid3,5-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5.

alpha-resorcylic acid: RN given refers to parent cpd
dihydroxybenzoic acid;
resorcinols
metabolite
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
adrenaloneadrenalone: RN given refers to parent cpdaromatic ketone
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-bromophenacyl bromide4-bromophenacyl bromide: phospholipidase A(2) inhibitor; structure
methylparabenmethylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries.

methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd
parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
dimethyl-4-phenylenediaminedimethyl-4-phenylenediamine: RN given refers to parent cpd; structurediamine;
substituted aniline
4-anisic acid4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4.

4-methoxybenzoic acid: structure in first source
methoxybenzoic acidplant 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
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
methylanilinemethylaniline : A substituted aniline carrying one or more methyl groups at unspecified positions.

methylaniline: RN given refers to parent cpd
methylaniline;
phenylalkylamine;
secondary amine
anisoleanisole : A monomethoxybenzene that is benzene substituted by a methoxy group.monomethoxybenzeneplant metabolite
triclocarbantriclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.

triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure
dichlorobenzene;
monochlorobenzenes;
phenylureas
antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
pyridostigmine bromidePyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants.pyridinium salt
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
n-isopropyl-n-phenyl-4-phenylenediamineN-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group.N-substituted diamineallergen;
antioxidant
phenyl etherdiphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.aromatic etherplant metabolite
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
n-oxydiethylene-2-benzothiazole sulfenamideN-oxydiethylene-2-benzothiazole sulfenamide: structure in first source
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
phenylisothiocyanatephenyl isothiocyanate : An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.

phenylisothiocyanate: structure
isothiocyanateallergen;
reagent
benzonatatebenzonatate : The ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant.

benzonatate: structure in Merck Index, 9th ed, #1107
benzoate ester;
secondary amino compound;
substituted aniline
anaesthetic;
antitussive
methyl acetoacetatemethyl acetoacetate: structureoxo carboxylic acid
diethyl malonatediethyl malonate: isomer of diethylmalonic acid; one of most used compounds in drug synthesis, don't confuse with ethylmalonic aciddicarboxylic acid
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-bromophenol4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another.bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
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
4-phenylenediamine1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.

4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd
phenylenediamineallergen;
dye;
hapten;
reagent
hydroxycitronellalhydroxycitronellal : The tertiary alcohol arising from addition of water across the C=C double bond of citronellal.tertiary alcoholallergen;
fragrance
isoamylamineisoamylamine: RN given refers to parent cpd

isopentylamine : A primary aliphatic amine that is butan-1-amine carrying a methyl substituent at position 3.
primary aliphatic aminebacterial metabolite;
plant metabolite
gamma-valerolactonegamma-valerolactone : A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane.

gamma-valerolactone: metabolite of n-hexane; RN given refers to cpd with methyl moiety in position 5
butan-4-olideflavouring agent;
human xenobiotic metabolite
2-aminopyrimidineaminopyrimidine : A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives.

pyrimidin-2-amine : An aminopyrimidine carrying an amino group at position 2.
aminopyrimidine
dibutyl sebacatedibutyl sebacate: used in retail packaging of foodsfatty acid ester
diethylaminesecondary aliphatic amine
diethylenetriaminediethylenetriamine: RN given refers to parent cpdpolyazaalkane;
triamine
adiponitrile
n,n-dimethyl-1-dodecanamineN,N-dimethyl-1-dodecanamine: increases body weight & feed efficiency in animals; RN given refers to parent cpd
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
estradiol dipropionateestradiol dipropionate: RN given refers to (17beta)-isomer; RN for cpd without isomeric designation not in Chemline 7/83steroid ester
imipramine hydrochloridehydrochlorideantidepressant
n(1)-acetylphenylhydrazine
phenforminphenformin : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of lactic acidosis.

Phenformin: A biguanide hypoglycemic agent with actions and uses similar to those of METFORMIN. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often fatal, it is still available in some countries. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290)
biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
chlorendic acidchlorendic acid : A bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers.

chlorendic acid: RN given refers to cpd without isomeric designation
bridged compound;
dicarboxylic acid;
organochlorine compound
carcinogenic agent
oxyphenisatin acetateOxyphenisatin Acetate: A laxative that undergoes enterohepatic circulation. It may cause jaundice.benzoate ester;
phenols
cythioatecythioate: structure
1-amino-4-hydroxyanthraquinone
anthrarufin1,5-dihydroxyanthraquinone: used in ferric ion sensing as an inclusion complex with beta-cyclodextrin; structure in first source

anthrarufin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5.
dihydroxyanthraquinone
diethylhexyl phthalatebis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.

Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.
diester;
phthalate ester
androstane receptor agonist;
apoptosis inhibitor;
plasticiser
di-n-octyl phthalatedi-n-octyl phthalate: plasticizerdiester;
phthalate ester
3,4,5-trimethoxybenzoic acid3,4,5-trimethoxybenzoic acid : A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents.

3,4,5-trimethoxybenzoic acid: RN given refers to parent cpd; structure
benzoic acids;
methoxybenzenes
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
isatoic anhydrideisatoic anhydride: structure given in first source
etryptamineetryptamine: RN given refers to cpd without isomeric designationindoles
maltolmaltol: found in bark of young larch trees; isolated from Passiflora incarnata; possesses depressant properties in mice; potentiates hexobarbital-induced narcosis & inhibits spontaneous motor activity; structure4-pyranonesmetabolite
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
2,2'-methylenebis(4-methyl-6-tert-butylphenol)diarylmethane
benzoinbenzoins;
secondary alpha-hydroxy ketone
EC 3.1.1.1 (carboxylesterase) inhibitor
5-amino-2-naphthalenesulfonateaminonaphthalenesulfonic acid
dianisidineDianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes.biphenyls
2-tolidine2-tolidine: RN given refers to parent cpd; structurebiphenyls
clorophene
dibenzoylmethanedibenzoylmethane : A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects.aromatic ketone;
beta-diketone
antimutagen;
antineoplastic agent;
metabolite
ethyl-p-hydroxybenzoateethyl-p-hydroxybenzoate: structureethyl ester;
paraben
antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
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
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
4-sulfanilic acid4-aminobenzenesulfonic acid : An aminobenzenesulfonic acid that is aniline sulfonated at the para-position.

4-sulfanilic acid: minor descriptor (75-82); online search SULFANILIC ACIDS; Index Medicus search BENZENESULFONATES
aminobenzenesulfonic acidallergen;
environmental contaminant;
xenobiotic;
xenobiotic metabolite
sulfacetamide
2-amino-5-nitrothiazole2-amino-5-nitrothiazole: RN given refers to cpd without isomeric designationC-nitro compound;
thiazoles
3-nitrobenzoic acid3-nitrobenzoic acid: RN given refers to parent cpd
methyl 4-anisatemethyl 4-anisate: volatile biomarker of Mycobacterium tuberculosis; structure in first source

methyl p-anisate : A benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol.
benzoate ester;
monomethoxybenzene
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
di-n-pentyl phthalatedipentyl phthalate : A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid.diester;
phthalate ester
plasticiser
dioxybenzonedioxybenzone: structurebenzophenones
2,4-dihydroxybenzophenone2,4-dihydroxybenzophenone: structure in first sourcebenzophenones
3-amino-9-ethylcarbazole3-amino-9-ethylcarbazole: RN given refers to parent cpdcarbazoles
cinchophencinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94quinolines
naphthoresorcinolnaphthoresorcinol: RN given refers to parent cpd
captancaptan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops.

Captan: One of the phthalimide fungicides.
isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide
antifungal agrochemical
phenyl 4-aminosalicylatecarbonyl compound
chloroprocainechloroprocaine : Procaine in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine. It is used as its monohydrochloride salt as a local anaesthetic, particularly for oral surgery. It has the advantage over lidocaine of constricting blood vessels, so reducing bleeding.

chloroprocaine: RN given refers to parent cpd; structure
benzoate ester;
monochlorobenzenes
central nervous system depressant;
local anaesthetic;
peripheral nervous system drug
neoprontosilneoprontosil: RN given refers to parent cpd
menthyl anthranilatementhyl anthranilate: structure in first sourcemonoterpenoid
benzilbenzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively.

benzil: structure
alpha-diketone;
aromatic ketone
phenazopyridine hydrochloridephenazopyridine hydrochloride : A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
tetrracaine hydrochlorideleocaine: a crystal beta-modification of the beta-dimethylaminoethyl ether of n-butylaminobenzoic acid hydrochloridebenzoate ester
2-ethylhexanoic acid2-ethylhexanoic acid: structure in first source; wood preservative; 2-ethylhexanoic acid is active ingredient in Sinesto Bbranched-chain fatty acid
ziramziram : A dithiocarbamate salt that is the zinc salt of dimethyldithiocarbamic acid. It is a broad-spectrum fungicide and bird and animal repellent that is also used to accelerate the vulcanisation of rubber.

Ziram: An industrial fungicide with low mammalian toxicity, although it does possess an irritant capacity for skin and mucous membranes.
dithiocarbamate salt;
zinc molecular entity
antifungal agrochemical;
apoptosis inducer
dextrothyroxineD-thyroxine : The D-enantiomer of thyroxine.

Dextrothyroxine: The dextrorotary isomer of the synthetic THYROXINE.
D-tyrosine derivative;
thyroxine
malic acid, disodium saltdisodium malate : A racemate comprising equimolar amounts of (R)- and (S)-disodium malate.
carzenidesulfonamide
4,4'-thiodianiline4,4'-thiodianiline: structuresubstituted aniline
aminoethylpiperazineaminoethylpiperazine: RN given refers to parent cpd with specified locant
pentamidine isethionatepentamidine isethionate : An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid.organosulfonate salttrypanocidal drug
4-tert-octylphenol4-tert-octylphenol: structure given in first sourcealkylbenzene
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
ethyl acetateethyl acetate : The acetate ester formed between acetic acid and ethanol.acetate ester;
ethyl ester;
volatile organic compound
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
2-hydroxypyridinehydroxypyridine : Any member of the class of pyridines with at least one hydroxy substituent.

pyridin-2-ol : A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2.
monohydroxypyridineplant metabolite
hexanoic acidhexanoic acid : A C6, straight-chain saturated fatty acid.medium-chain fatty acid;
straight-chain saturated fatty acid
human metabolite;
plant metabolite
decylaminedecylamine: structurealkylamine
sodium cyanidesodium cyanide : A cyanide salt containing equal numbers of sodium cations and cyanide anions.

Sodium Cyanide: A highly poisonous compound that is an inhibitor of many metabolic processes and is used as a test reagent for the function of chemoreceptors. It is also used in many industrial processes.
cyanide salt;
one-carbon compound;
sodium salt
EC 1.15.1.1 (superoxide dismutase) inhibitor
anileridineanileridine : A piperidinecarboxylate ester that is the ethyl ester of isonipecotic acid in which the hydrogen alpha- to the carboxyl group is substituted by a phenyl group, and the hydrogen attached to the nitrogen is substituted by a 2-(4-aminophenyl)ethyl group.

anileridine: minor descriptor (64-86); on line & INDEX MEDICUS search ISONIPECOTIC ACIDS (68-86); RN given refers to parent cpd
ethyl ester;
piperidinecarboxylate ester;
substituted aniline
opioid analgesic;
opioid receptor agonist
pregnenolone20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid
human metabolite;
mouse metabolite
20-alpha-dihydroprogesterone20-alpha-Dihydroprogesterone: A biologically active 20-alpha-reduced metabolite of PROGESTERONE. It is converted from progesterone to 20-alpha-hydroxypregn-4-en-3-one by the 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE in the CORPUS LUTEUM and the PLACENTA.20-hydroxypregn-4-en-3-onehuman metabolite;
mouse 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
ditiocarbdiethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.

Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.
dithiocarbamic acidschelator;
copper chelator
1,4-dimethoxybenzene1,4-dimethoxybenzene: structure given in first sourcedimethoxybenzene
quinestrolQuinestrol: The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal absorption, it is stored in ADIPOSE TISSUE, slowly released, and metabolized principally to the parent compound. It has been used in ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992, p1011)17-hydroxy steroid;
terminal acetylenic compound
xenoestrogen
dydrogesterone20-oxo steroid;
3-oxo-Delta(4) steroid
progestin
D-tryptophanD-alpha-amino acid;
tryptophan;
tryptophan zwitterion
bacterial metabolite
catechin(+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.

catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.

Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.

rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin
catechinantioxidant;
plant metabolite
homoarginineL-homoarginine : An L-lysine derivative that is the L-enantiomer of homoarginine.homoarginine;
L-lysine derivative;
non-proteinogenic L-alpha-amino acid
biomarker;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
human metabolite;
rat metabolite;
xenobiotic metabolite
benzo(k)fluoranthenenaphthalenes
chrysenechrysene : An ortho-fused polycyclic arene found commonly in the coal tar.

chrysene: structure in Merck Index, 9th ed, #2252
ortho-fused polycyclic areneplant metabolite
indazolesIndazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.indazole
7-azaindolepyrrolopyridine
ethynodiol diacetateEthynodiol Diacetate: A synthetic progestational hormone used alone or in combination with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL).steroid ester;
terminal acetylenic compound
contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive
propantheline bromidexanthenes
ronnelronnel: FENCHLORPHOS was heading 1972-95 (Prov 1972-73); RONNEL was see FENCHLORPHOS 1975-95; use FENCHLORPHOS (NM) to search FENCHLORPHOS 1972-95organic thiophosphate
diiodotyrosine3,5-diiodo-L-tyrosine : A diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis.

diiodotyrosine : A dihalogenated L-tyrosine which has two iodo-substituents on the benzyl moiety.

Diiodotyrosine: A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE).
diiodotyrosine;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
human metabolite;
mouse metabolite
thiocyanatethiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.

thiocyanate: RN given refers to parent cpd
pseudohalide anion;
sulfur molecular entity
human metabolite
chlormadinone acetateChlormadinone Acetate: An orally active synthetic progestational hormone used often in combinations as an oral contraceptive (CONTRACEPTIVES, ORAL).corticosteroid hormone
gamma-resorcylic aciddihydroxybenzoic acidmetabolite
norchlorcyclizinenorchlorcyclizine: RN given refers to parent cpd
hydralazine hydrochloridehydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent.hydrochlorideantihypertensive agent;
vasodilator agent
ethamivanetamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.

ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86)
methoxybenzenes;
phenols
disophenoldisophenol: structure4-nitrophenols
paraoxonaryl dialkyl phosphate;
organophosphate insecticide
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
difluorodinitrobenzene sulfone
estradiol 17 beta-cypionatesteroid ester
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
aminophyllineaminophylline : A mixture comprising of theophylline and ethylenediamine in a 2:1 ratio.

Aminophylline: A drug combination that contains THEOPHYLLINE and ethylenediamine. It is more soluble in water than theophylline but has similar pharmacologic actions. It's most common use is in bronchial asthma, but it has been investigated for several other applications.
mixturebronchodilator agent;
cardiotonic drug
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
3,5-dichlorosalicylic acid3,5-dichlorosalicylic acid: structure in first sourcechlorobenzoic acid
5-chlorosalicylic acid5-chlorosalicylic acid : A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine.

5-chlorosalicylic acid: major metabolite of meseclazone; RN given refers to parent cpd
chlorobenzoic acid;
monochlorobenzenes;
monohydroxybenzoic acid
haloxonhaloxon: structure
triflusaltriflusal: inhibits platelet aggregation similarly to aspirin; structurebenzoic acids;
carboxylic ester;
salicylates
phenyramidolphenyramidol: considered as a drug that possibly causes hepatotoxicityaminopyridine
tetrapropylammoniumtetrapropylammonium : A quarternary ammonium cation with four propyl substituents around the central nitrogen.

tetrapropylammonium: more than 12 salts of above cpd in Chemline
quaternary ammonium ion
mecloqualonemecloqualone: minor descriptor (72-86); on-line & INDEX MEDICUS search QUINAZOLINES (72-86); RN given refers to parent cpdquinazolines
fluocinonideFluocinonide: A topical glucocorticoid used in the treatment of ECZEMA.organic molecular entity
galantamineGalantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.

galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.
benzazepine alkaloid;
benzazepine alkaloid fundamental parent;
organic heterotetracyclic compound;
tertiary amino compound
antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
nandrolone decanoateNandrolone Decanoate: Decanoic acid ester of nandrolone that is used as an anabolic agent to prevent or treat WASTING SYNDROME associated with severe chronic illness or HIV infection (HIV WASTING SYNDROME). It may also be used in the treatment of POSTMENOPAUSAL OSTEOPOROSIS.steroid ester
aminoimidazole carboxamide5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.

Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.
aminoimidazole;
monocarboxylic acid amide
mouse metabolite
methysergidemethysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.

Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.
ergoline alkaloid
procarbazine hydrochlorideprocarbazine hydrochloride : A hydrochloride obtained by combining procarbazine with one equivalent of hydrochloric acid. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.hydrochlorideantineoplastic agent
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanaminearomatic amine
cloflucarbancloflucarban: structure

halocarban : A phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties.
monochlorobenzenes;
phenylureas
antibacterial agent
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
betamethasoneBetamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724)11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
3,5-dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene3,5-dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene: affects mitochondria isolated from rat liver; RN given refers to unlabeled cpd
fluorometholonefluorometholone : A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe.

Fluorometholone: A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732)
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone
anti-inflammatory drug
cyproterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester
androgen antagonist;
geroprotector;
progestin
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
nandrolonenandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17.

Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid
human metabolite
2-aminopurine2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position.

2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).

aminopurine : Any purine having at least one amino substituent.
2-aminopurines;
nucleobase analogue
antimetabolite
normethadonenormethadone: RN given refers to parent cpddiarylmethane
glycyrrhetinic acidcyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
immunomodulator;
plant metabolite
chenodeoxycholic acidchenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3.

chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.

Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
glycocholic acidglycocholate : A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

glycocholic acid : A bile acid glycine conjugate having cholic acid as the bile acid component.

Glycocholic Acid: The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.
bile acid glycine conjugatehuman metabolite
naphthazarinnaphthazarin : A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups.

naphthazarin: fish toxin; isolated for first time from the walnut onigurmi, Juglans mandshurica maxim var. Sieboldiana Makino; structure
hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
glaucine
boldineaporphine alkaloid
rheindihydroxyanthraquinone
indirubin
phthalimidineisoindolin-1-one : A member of the class of isoindoles that is 2,3-dihydro-1H-isoindole in which the hydrogens at positon 1 are replaced by an oxo group.

phthalimidine: structure given in first source
gamma-lactam;
isoindoles
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
cepharanthinecepharanthine : A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation.

cepharanthine: isoquinoline alkaloid from tubers of STEPHANIA; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation
bisbenzylisoquinoline alkaloid;
isoquinolines
aloe emodinAloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe.

aloe emodin: structure distinct from emodin; this does not mean emodin from aloe
aromatic primary alcohol;
dihydroxyanthraquinone
antineoplastic agent;
plant metabolite
chrysophanic 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
menadiolmethylnaphthalenes;
naphthalenediols;
naphthohydroquinone
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7h-furo(3,2-g)(1)benzopyran-7-one9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one: isolated from Angelica dahurica (Umbelliferae); structure in first sourcepsoralens
imperatorinimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.

imperatorin: tumor necrosis factor antagonist; furanocoumarin from West African medicinal plant Clausena anisata; structure in Negwer, 5th ed, #3005
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
indigohydroxyindoles
emetineemetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.

Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.
isoquinoline alkaloid;
pyridoisoquinoline
antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
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
dihydralazineDihydralazine: 1,4-Dihydrazinophthalazine. An antihypertensive agent with actions and uses similar to those of HYDRALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p354)phthalazines
ninhydrinninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2.

Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties.
aromatic ketone;
beta-diketone;
indanones;
ketone hydrate
colour indicator;
human metabolite
bicucullinebicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.

Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines
agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
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
salicyluratesalicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

salicylurate: RN given refers to parent cpd

salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.
N-acylglycine;
secondary carboxamide
human xenobiotic metabolite;
uremic toxin
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
fructose-1,6-diphosphatebeta-D-fructofuranose 1,6-bisphosphate : A D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position.D-fructofuranose 1,6-bisphosphatemouse metabolite
topanol 354Topanol 354: structuremethoxybenzenes;
phenols
chrysarobin
1,4-benzodioxan1,4-benzodioxan: structure in first source
dibenzylamine10,11-dihydro-5H-dibenzo(b,f)azepine: core structure of clomipramine
benzohydroxamic acid
sodium carbonatesodium carbonate: used topically for dermatitides, mouthwash, vaginal douche; veterinary use as emergency emetic; RN given refers to carbonic acid, di-Na salt; structurecarbonate salt;
organic sodium salt
butenolidebutenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives.

butenolide: inhibits experimental allergic encephalomyelitis in rats
butenolide
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
4-hydroxyphenylethanol2-(4-hydroxyphenyl)ethanol : A phenol substituted at position 4 by a 2-hydroxyethyl group.

4-hydroxyphenylethanol: in chest gland secretion of galagos
phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
1,3-cyclohexanedione1,3-cyclohexanedione: structure

cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3.
beta-diketone;
cyclohexanedione
orcinolorcinol : A 5-alkylresorcinol in which the alkyl group is specified as methyl.

orcinol: used as reagent for pentoses, lignin, beet sugar, saccharoses, arabinose & diastase; RN given refers to parent cpd; structure
5-alkylresorcinol;
dihydroxytoluene
Aspergillus metabolite
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
dihydroergotaminedihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.

Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS.
ergot alkaloid;
semisynthetic derivative
dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
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
medroxyprogesterone17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone
contraceptive drug;
progestin;
synthetic oral contraceptive
mestanolonemestanolone: non-virilizing androgenic steroid; RN given refers to (5alpha,17beta)-isomer; structure3-oxo-5alpha-steroid
androstenediolandrost-5-ene-3beta,17beta-diol : A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta.

Androstenediol: An intermediate in TESTOSTERONE biosynthesis, found in the TESTIS or the ADRENAL GLANDS. Androstenediol, derived from DEHYDROEPIANDROSTERONE by the reduction of the 17-keto group (17-HYDROXYSTEROID DEHYDROGENASES), is converted to TESTOSTERONE by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-HYDROXYSTEROID DEHYDROGENASES).
17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid
androgen;
human metabolite;
mouse metabolite;
radiation protective agent
dihydrotestosterone17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.

17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.

Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.
17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
physcionephyscion : A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources.

physcione: structure
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite
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
dibromsalicildibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic
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
2,3-dimethylphenol
2,3,4,5,6-pentachloroaniline
4-(benzoylamino)-2-hydroxybenzoic acid4-(benzoylamino)-2-hydroxybenzoic acid: Bepask is calcium saltbenzamides
syringic acidsyringic acid : A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid.

syringic acid: RN given refers to parent cpd; structure in third source
benzoic acids;
dimethoxybenzene;
phenols
plant metabolite
acetylsalicylsalicylic acidacetylsalicylsalicylic acid: potential immunogenic impurity in aspirin; structurecarbonyl compound
herniarinherniarin : A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.

herniarin: methoxy analog of umbelliferone; structure
coumarinsfluorochrome
coumarin-3-carboxylic acidcoumarin-3-carboxylic acid: structure given in first sourcecoumarins
hydroxyhydroquinonebenzene-1,2,4-triol : A benzenetriol carrying hydroxy groups at positions 1, 2 and 4.benzenetriolmouse metabolite
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
4,6-dinitro-o-cresol4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.

4,6-dinitro-o-cresol: RN given refers to parent cpd; structure
dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene
dinitrophenol insecticide;
fungicide;
herbicide
diperodon
3,5-dibromotyrosine3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine spongesmonocarboxylic acid
diphenylcarbazonediphenylcarbazone: sensitive reagent for Hg, for which it gives blue color; structure
domiphen bromidearomatic ether
isovaleramideisovaleramide: inhibits liver alcohol dehydrogenases
delta-valerolactonedelta-lactone
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
thiphenamilthiphenamil: RN given refers to parent cpd; structurediarylmethane
1-naphthylisothiocyanate1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage.isothiocyanateinsecticide
eriodictyolflavanones
guaiacol carbonatemethoxybenzenes
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
trimesic acidbenzene-1,3,5-tricarboxylic acid : A tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5.

trimesic acid: RN given refers to parent cpd
benzoic acids;
tricarboxylic acid
glycylglycinedipeptide;
dipeptide zwitterion
human metabolite
chlorotrianiseneChlorotrianisene: A powerful synthetic, non-steroidal estrogen.chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
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
1-acetylisatin1-acetylisatin: structure in first sourceindoledione
lactuloseglycosylfructosegastrointestinal drug;
laxative
2,6-xylenolhydroxytoluene
3-hydroxyflavone3-hydroxyflavone: structure given in first source

flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.
flavonols;
monohydroxyflavone
iodoalphionic acidiodoalphionic acid: RN given refers to parent cpd; do not confuse biliognost with non-print entry term bilignoststilbenoid
1-phenyl-1,2-propanedione1-phenyl-1,2-propanedione : An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.

1-phenyl-1,2-propanedione: an oxoglutarate carrier antagonist
alpha-diketone;
aromatic ketone
plant metabolite
isoxsuprine hydrochloridealkylbenzene
6-aminoquinoline
2-naphthylacetic acid2-naphthylacetic acid : A naphthylacetic acid carrying a carboxy group at position 2.

2-naphthylacetic acid: RN given refers to parent cpd
naphthylacetic acid
2-methylcyclohexanone2-methylcyclohexanone : A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2.

2-methylcyclohexanone: structure in first source
cyclohexanonesflavouring agent;
plant metabolite
allethrinsAllethrins: Synthetic analogs of the naturally occurring insecticides cinerin, jasmolin, and pyrethrin. (From Merck Index, 11th ed)cyclopropanecarboxylate esterpyrethroid ester insecticide
3-bromophenol
3-aminophenol3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group.

3-aminophenol: RN given refers to parent cpd
aminophenol
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
megestrol acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester
antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
2,2-dimethylbutyric acid2,2-dimethylbutyric acid : A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies.

2,2-dimethylbutyric acid: structure given in first source; plasma metabolite of simvastatin
dimethylbutyric acidmetabolite
algestonealgestone : A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17.

Algestone: A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties.
16alpha-hydroxy steroid;
17-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
tertiary alpha-hydroxy ketone
progestin
2,3-pentanedionepentane-2,3-dione : An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups.alpha-diketone;
methyl ketone
flavouring agent
2,3-dinitrotoluene2,3-dinitrotoluene : A dinitrotoluene that is toluene in which the hydrogens at positions 2 and 3 have been replaced by nitro groups.

dinitrotoluene : Any nitrotoluene carrying two nitro substituents.
dinitrotolueneexplosive
9-nitroanthracene9-nitroanthracene: RN given refers to cpd with locant for nitro moiety in 5 positionanthracenes
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-methylisatin5-methylisatin: structure in first source
indoxyl acetateindoles
2,6-dibromophenol2,6-dibromophenol : A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines.bromohydrocarbon;
dibromophenol
marine metabolite
pentabromophenol
2,4,6-triiodophenol
mandelic acid, (r)-isomer(R)-mandelic acid : The (R)-enantiomer of mandelic acid.mandelic acidhuman xenobiotic metabolite
3-methylquinolinemethylquinolinexenobiotic
2-anthramine2-anthramine: structureanthracenamine
2-hydroxyphenylacetic acid(2-hydroxyphenyl)acetic acid : A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.

2-hydroxyphenylacetic acid: structure
hydroxy monocarboxylic acid;
phenols
human metabolite;
mouse metabolite
dibrompropamidinearomatic ether
2,4-dibromophenol2,4-dibromophenol : A bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines.brominated flame retardant;
bromophenol;
dibromobenzene
marine metabolite
2,3-dichloro-1-propanol
isovanillinisovanillin : A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase.

isovanillin: inhibits aldehyde oxidase
benzaldehydes;
monomethoxybenzene;
phenols
animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite
3,5-dichloroanilinedichloroaniline
6-methyluracil6-methyluracil : A pyrimidone that is uracil with a methyl group at position 6.

6-methyluracil: RN given refers to unlabeled cpd; structure
pyrimidonemetabolite
3-Bromo-1-propanolprimary alcohol
trimetozinemorpholines
glycochenodeoxycholic acidglycochenodeoxycholate : A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid.

glycochenodeoxycholic acid : A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component.

Glycochenodeoxycholic Acid: A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic.
bile acid glycine conjugatehuman metabolite
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
2'-deoxy-5'-adenosine monophosphate2'-deoxy-5'-adenosine monophosphate: RN given refers to parent cpd

2'-deoxyadenosine 5'-monophosphate : A purine 2'-deoxyribonucleoside 5'-monophosphate having adenine as the nucleobase.
2'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-monophosphate
fundamental metabolite
docosanoldocosan-1-ol : A long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores.

docosanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twenty-two carbon atoms.

Tadenan: from powdered bark of Pygaeum africanum (Rosaceae), see also heading for docosanol (a priciple ingredient of extract)
docosanol;
long-chain primary fatty alcohol
antiviral drug;
plant metabolite
tolcyclamidesulfonamide
agaric acidagaric acid: adenine nucleotide translocase antagonist
2-piperidone2-piperidone: structure given in first source

piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2.
delta-lactam;
piperidones
EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
hadacidinhadacidin : A monocarboxylic acid that is N-hydroxyglycine in which the hydrogen attached to the nitrogen is replaced by a formyl group. It was originally isolated from cultures of Penicillium frequentans.

hadacidin: inhibitor of AMP synthesis; RN given refers to parent cpd; structure
aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid
antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
phenylphosphatephenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.

phenylphosphate: structure given in first source
aryl phosphatemouse metabolite
biphenyl-3-carboxylic acidbiphenyl-3-carboxylic acid: structure in first source
phosmetPhosmet: An organothiophosphorus insecticide that has been used to control pig mange.organic thiophosphate;
organothiophosphate insecticide;
phthalimides
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
hydroxychloroquine sulfate
4-cyanophenol4-cyanophenol: reversible monoamine oxidase inhibitorphenolsEC 1.4.3.4 (monoamine oxidase) inhibitor
carbophenothioncarbophenothion: structureorganic sulfide
n-(1,3-dimethylbutyl)-n'-phenyl-1,4-phenylenediamineN-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine: antiozonant
levonorgestrelLevonorgestrel: A synthetic progestational hormone with actions similar to those of PROGESTERONE and about twice as potent as its racemic or (+-)-isomer (NORGESTREL). It is used for contraception, control of menstrual disorders, and treatment of endometriosis.17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound
contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
4-methylimidazole4-methylimidazole : Imidazole substituted at position 4 by a methyl group.

4-methylimidazole: RN given refers to parent cpd
imidazolescarcinogenic agent;
reaction intermediate
4-iodobenzenesulfonamide4-iodobenzenesulfonamide: used as carrier for red cell labelling
4-nitrophenyl acetateC-nitro compound;
phenyl acetates
4-phenoxyphenolphenoxyphenol
vinblastine
diphenyl disulfidebenzenes
1,4-androstadiene-3,17-dione1,4-androstadiene-3,17-dione: structure

androsta-1,4-diene-3,17-dione : A steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17.
17-oxo steroid;
3-oxo-Delta(1) steroid;
3-oxo-Delta(4) steroid
etonitazeneetonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals
dodecylaminedodecylamine: RN given refers to parent cpdprimary aliphatic amine
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
2-hydroxybenzothiazole2-hydroxybenzothiazole : Benzothiazole substituted with a hydroxy group at the 2-position.benzothiazole
3-hydroxy-1-benzopyran-2-one3-hydroxycoumarin: Photoprotective from sea urchin gametes and embryonic cells; structure in first source

hydroxycoumarin : Any coumarin carrying at least one hydroxy substituent.
hydroxycoumarin
4-phenylpyridinephenylpyridine
2-phenylindolealpha-phenylindole: RN given refers to parent cpdphenylindole
methidathionmethidathion: widely used on citrus, tobacco, alfalfa, cotton, sorghum & several other cropsorganic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
2,6-dichloroindophenol2,6-dichloroindophenol : A quinone imine that is indophenol substituted by chloro groups at positions 2 and 6.

2,6-Dichloroindophenol: A dye used as a reagent in the determination of vitamin C.

N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine : 1,4-benzoquinone imine having a 3,5-dichloro-4-hydroxyphenyl substituent attached to the nitrogen atom.
dichlorobenzene;
quinone imine
azure aazure A : An organic chloride salt having 3-amino-7-(dimethylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining.

Azure A: RN given refers to chloride
canrenoneCanrenone: A synthetic pregnadiene compound with anti-aldosterone activity.steroid lactone
estradiol valeratesteroid ester
benzopurpurine 4bbenzopurpurine 4B: structure
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
bentranilbentranil : A benzoxazine that is 4H-3,1-benzoxazin-4-one substituted by a phenyl group at position 2. It is a postemergence herbicide used for the control of annual weeds in cereal crops, maize, and rice.benzoxazineherbicide
deoxycytidine monophosphate2'-deoxycytosine 5'-monophosphate : A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having cytosine as the nucleobase.

Deoxycytidine Monophosphate: Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions.
2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate
Escherichia coli metabolite;
mouse metabolite
adenosine 5'-tetraphosphateadenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase.adenosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate
1-aminomethylphosphonic acid(aminomethyl)phosphonic acid : A member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate.

1-aminomethylphosphonic acid: RN given refers to parent cpd
one-carbon compound;
phosphonic acids
ethambutol hydrochlorideethambutol dihydrochloride : The dihydrchloride salt of ethambutol. A bacteriostatic antimycobacterial drug, it is effective against Mycobacterium tuberculosis and some other mycobacteria. It is used in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol dihydrochloride is used alone.hydrochlorideantitubercular agent
c 137C 137: RN given refers to parent cpd
nicotinamide mononucleotideNicotinamide Mononucleotide: 3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN.nicotinamide mononucleotideEscherichia coli metabolite;
mouse metabolite
monotributyltin trichloride
dodecyltrimethylammonium bromidedodecyltrimethylammonium bromide : A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.bromide salt;
quaternary ammonium salt
surfactant
4-aminophenylarsenoxide4-aminophenylarsenoxide: RN given refers to parent cpd
tetramethylpyrazinetetramethylpyrazine : A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii).

tetramethylpyrazine: found in Ligusticum chuanxiong
alkaloid;
pyrazines
antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
bromindionebromindione: structurecyclic ketone;
indanones
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
4-((diethylamino)sulfonyl)benzoic acid4-((diethylamino)sulfonyl)benzoic acid: do not confuse with ethamide which is an entry term to PROBENECIDsulfonamide
zolimidinezolimidine: was MH 1977-92 (see under PYRIDINES 1977-90); SOLIMIDINE was see ZOLIMIDINE 1977-92; use PYRIDINES to search ZOLIMIDINE 1977-92; compound with analgesic, antipyretic & anti-inflammatory action; used mainly in the treatment of gastrointestinal ulcers due to its considerable mucopoietic actionimidazoles
furazabolfurazabol: structuresteroid
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
monolaurin1-monolauroylglycerol : A 1-monoglyceride with dodecanoyl (lauroyl) as the acyl group.

monolaurin: RN given refers to cpd with unspecified monolaurin locant

rac-1-monolauroylglycerol : A rac-1-monoacylglycerol comprising equal amounts of 1-lauroyl-sn-glycerol and 3-lauroyl-sn-glycerol
1-monoglyceride;
dodecanoate ester;
rac-1-monoacylglycerol
dinseddinsed: structuresulfonamide
hydrofluoric acidHydrofluoric Acid: Hydrofluoric acid. A solution of hydrogen fluoride in water. It is a colorless fuming liquid which can cause painful burns.

hydrogen fluoride : A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.

organofluorine compound : An organofluorine compound is a compound containing at least one carbon-fluorine bond.
hydrogen halide;
mononuclear parent hydride
NMR chemical shift reference compound
antimycin abenzamides;
formamides;
macrodiolide;
phenols
antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
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
d-alpha tocopherol(R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.

tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.

vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.

Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.
alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
isobarbaloinaloin B : A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9R diastereoisomer).anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols
laxative;
metabolite
desacetamidocolchicinedesacetamidocolchicine: structure given in first source
propanididPropanidid: An intravenous anesthetic that has been used for rapid induction of anesthesia and for maintenance of anesthesia of short duration. (From Martindale, The Extra Pharmacopoeia, 30th ed, p918)methoxybenzenes
sapropterinaromatic ketone
mesteroloneMesterolone: 17 beta-Hydroxy-1 alpha-methyl-5 alpha-androstan-3-one. A synthetic steroid with anabolic and androgenic activities.3-oxo-5alpha-steroid
pregnenolone carbonitrilePregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage.aliphatic nitrile
2-methyladeninemethyladenine : Any member of the class of 6-aminopurines that is adenine bearing a single methyl substituent.
n-(1-naphthyl)ethylenediamine dihydrochlorideN-(1-naphthyl)ethylenediamine dihydrochloride : An ethylenediamine dihydrochloride compound having an N-(1-naphthyl) substituent.hydrochloride
n-(1-naphthyl)ethylenediamineN-(1-naphthyl)ethylenediamine : An N-substituted ethylenediamine compound having 1-naphthyl as the substituent.N-substituted diamine
2,6-dimethoxybenzoic acid2,6-dimethoxybenzoic acid: structure in first sourcebenzenes;
carbonyl compound
win 18446WIN 18446 : A carboxamide that is 1,8-diaminooctane in which a hydrogen attached to each of the amino groups has been replaced by a dichloroacetyl group. Inhibitor of aldehyde dehydrogenase 1a2 (ALDH1a2). Inhibits the biosynthesis of retinoic acid from retinol in neonatal and adult murine testis. It down-regulates sex related genes in zebrafish.organochlorine compound;
secondary carboxamide
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
fluanisonefluanisone: former provisional as haloanisone; structure; RN given refers to parent cpdaromatic ketone
flurandrenoloneFlurandrenolone: A corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733)21-hydroxy steroid
phenylphosphonic acidphenylphosphonic acid: RN given refers to parent cpd; NM same as N1benzenes
daminozidedaminozide: induces tumorsstraight-chain fatty acid
2-methyl-1,2,3,4-tetrahydroisoquinoline
metylperonmetylperon: RN given refers to parent cpdaromatic ketone
diethylcarbamazine citratepiperazinecarboxamide
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
diphenyldiselenidediphenyldiselenide: structure given in first source
digoxigenindigoxigenin : A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.

Digoxigenin: 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol
hapten;
plant metabolite
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
stearylamineoctadecan-1-amine : An 18-carbon primary aliphatic amine.

stearylamine: RN given refers to parent cpd
primary aliphatic aminefilm-forming compound
2-ethylbenzimidazole
5 alpha-androstane-3 alpha,17 beta-diol5alpha-androstane-3alpha,17beta-diol : The 5alpha-stereoisomer of androstane-3alpha,17beta-diol.androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
4-chlorophenylacetic acid4-chlorophenylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group.

4-chlorophenylacetic acid: RN given refers to parent cpd
monocarboxylic acid;
monochlorobenzenes
xenobiotic metabolite
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
orange gorange G : An organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary.
tetrabutylammoniumtetrabutylammonium: lipophilic probe; RN given refers to parent cpdquaternary ammonium ion
2-tert-butylhydroquinone2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.

2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent
hydroquinonesfood antioxidant
5-hydroxyindolehydroxyindoleshuman metabolite
dronabinolDelta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.

Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide
cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
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
methylene diphosphonatemedronic acid : A 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups.1,1-bis(phosphonic acid)bone density conservation agent;
chelator
phenylguanidinephenylguanidine: RN given refers to parent cpd
n-tetradecylamineN-tetradecylamine: RN given refers to parent cpdalkylamine
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
diallyl trisulfideorganic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent
n-methylisatinN-methylisatin: structure given in first source
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
1,6-diaminohexane1,6-diaminohexane: Russian drug; RN given refers to parent cpd; structure

hexane-1,6-diamine : A C6 alkane-alpha,omega-diamine.
alkane-alpha,omega-diaminehuman xenobiotic metabolite
clorexoloneclorexolone: structureorganic molecular entity
flumethasoneFlumethasone: An anti-inflammatory glucocorticoid used in veterinary practice.11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-inflammatory drug
betamethasone valeratebetamethasone valerate : A steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester.

Betamethasone Valerate: The 17-valerate derivative of BETAMETHASONE. It has substantial topical anti-inflammatory activity and relatively low systemic anti-inflammatory activity.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
primary alpha-hydroxy ketone;
steroid ester
anti-inflammatory drug
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
1,5-naphthalenediamine1,5-diaminonaphthalene: structure in first source

naphthalene-1,5-diamine : A naphthalenediamine compound having amino substituents in the 1- and 5-positions.
naphthalenediaminecarcinogenic agent
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
dexamethasone isonicotinateDexamethasone Isonicotinate: An anti-inflammatory, anti-allergic glucocorticoid that can be administered orally, by inhalation, locally, and parenterally. It may cause water and salt retention.corticosteroid hormone
oxyclozanideOxyclozanide: Anthelmintic used in grazing animals for fasciola and cestode infestations.
thioflavin tthioflavin T: RN given refers to chloride; structure

thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo.
organic chloride saltfluorochrome;
geroprotector;
histological dye
thioflavin tthioflavin T cation : A benzothiazolium ion obtained by methylation of the thiazole nitrogen of 2-[4-(dimethylamino)phenyl]-6-methyl-1,3-benzothiazole; the cationic component of thioflavin T.benzothiazolium ion
dimenoxadoldimenoxadol: RN given refers to parent cpd; structurediarylmethane
drometrizoledrometrizole: structure in first sourcetriazoles
sulfadoxinesulfadoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial.

Sulfadoxine: A long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections.
pyrimidines;
sulfonamide
antibacterial drug;
antimalarial
n-acetylimidazoleN-acylimidazole
4-(octyloxy)benzoic acidbenzoic acids
tetrapentylammoniumtetrapentylammonium: RN given refers to parent cpdquaternary ammonium ion
antazoline hydrochloride
pontamine sky blue
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
6-chrysenamine6-chrysenamine: may cause splenic atrophy and leukopenia; minor descriptor (76-84); on-line & Index Medicus search PHENANTHRENES (76-84)carbopolycyclic compound
4-nitrohippuric acid4-nitrohippuric acid: major metabolite of 4-nitrobenzoic acid
3-aminofluoranthene3-aminofluoranthene: structure given in first source
thiocholchicinethiocholchicine: RN refers to (S)-isomer
2,4-dichloro-5-sulfamoylbenzoic acid2,4-dichloro-5-sulfamoylbenzoic acid: used in the manufacture of furosemide; occupational asthma and rhinitis was observed in workers from a lasamide production line
acetophenazineacetophenazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2.

acetophenazine: major descriptor (73-85); minor descriptor (64-72); on-line search PHENOTHIAZINES (64-85); Index Medicus search PHENOTHIAZINES (64-72); ACETOPHENAZINE (73-85); RN given refers to parent cpd
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines
phenothiazine antipsychotic drug
Cypromidanilide
1,12-dodecamethylenediamine1,12-dodecamethylenediamine: RN given refers to parent cpd

dodecane-1,12-diamine : An alkane-alpha,omega-diamine that is dodecane substituted by amino groups at positions 1 and 12.
alkane-alpha,omega-diamine
hydroxyphenytoin4-hydroxyphenytoin : A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.

hydroxyphenytoin: main metabolite of diphenylhydantoin; reduces Na(+) inhibition at high Na:K ratios; RN given refers to cpd without isomeric designation; structure
imidazolidine-2,4-dione;
phenols
metabolite
4-amino-2-hydroxytoluene4-amino-2-hydroxytoluene: an ingredient in oxidative hair coloring products; structure in first source
4-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoic acidbenzoic acids
chlordesmethyldiazepambenzodiazepine
benzyl thiocyanatebenzyl thiocyanate: increases activities of anhydrotetracycline oxygenasethiocyanates
stavudinestavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase

Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV.
dihydrofuran;
nucleoside analogue;
organic molecular entity
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
iobenzamic acidorganic molecular entity
dicloxacillindicloxacillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group.

Dicloxacillin: One of the PENICILLINS which is resistant to PENICILLINASE.
dichlorobenzene;
penicillin
antibacterial drug
3,5-dibromosalicylic acid3,5-dibromosalicylic acid: structure in first source
6-aminonicotinic acid6-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring.

6-aminonicotinic acid: RN given refers to parent cpd
aminonicotinic acid;
aminopyridine;
aromatic amine
metabolite
benzolamideBenzolamide: Selective renal carbonic anhydrase inhibitor. It may also be of use in certain cases of respiratory failure.
cyclacillinCyclacillin: A cyclohexylamido analog of PENICILLANIC ACID.penicillinantibacterial drug
9-amino-6-chloro-2-methoxyacridine
10,11-dihydrocarbamazepine
tranylcypromine(1R,2S)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1R,2S)-enantiomer of tranylcypromine.

tranylcypromine : A racemate comprising equal amounts of (1R,2S)- and (1S,2R)-2-phenylcyclopropan-1-amine. An irreversible monoamine oxidase inhibitor that is used as an antidepressant (INN tranylcypromine).

Tranylcypromine: A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311)
2-phenylcyclopropan-1-amine
2-(aminomethyl)pyridinepyridines
diloxanide furoatediloxanide furoate : A carboxylic ester resulting from the formal condensation of the carboxy group of furan-2-carboxylic acid with the hydroxy group of 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide. It is a drug used for the treatment of asymptomatic amebiasis.

diloxanide furoate: structure
carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide
antiamoebic agent;
prodrug
3-phenoxybenzoic acid3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides.

3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides
phenoxybenzoic acidhuman xenobiotic metabolite;
marine xenobiotic metabolite
2-(alpha-thenoylamino)-2-nitro-5-thiazole1,3-thiazoles;
C-nitro compound
streptomycinantibiotic antifungal drug;
antibiotic fungicide;
streptomycins
antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
chloric acidchlorine oxoacid
carbonatescarbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.

Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed)
carbon oxoanion
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
mebanazine monosulfate
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
2,2',4'-trichloroacetophenone
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
alpha-tocopherol succinatehemisuccinate;
tocol
mono-(2-ethylhexyl)phthalatemono-(2-ethylhexyl)phthalate: RN given refers to parent cpd

mono(2-ethylhexyl) phthalate : The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
phthalic acid monoester
fenbutrazatefenbutrazate: structuremorpholines
beclomethasone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-asthmatic drug;
anti-inflammatory drug
n-butylboronic acid
Bis(2-furanylmethyl) disulfideheteroarene
n-phthalylglycine
dexpropranololpropranolol
metocurinemetocurine: from Chinese herb Cyclea hainanensis Mrrisoquinolines
carboxincarboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment.

Carboxin: A systemic agricultural fungicide and seed treatment agent.
anilide;
anilide fungicide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide
antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
floxacillinFloxacillin: Antibiotic analog of CLOXACILLIN.

flucloxacillin : A penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain.
penicillin;
penicillin allergen
antibacterial drug
imidocarbImidocarb: One of ANTIPROTOZOAL AGENTS used especially against BABESIA in livestock. Toxicity has been reported.ureasantiprotozoal drug
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
1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dioneoxopurine
aseanostatin p512-methyltetradecanoic acid : A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent.

aseanostatin P5: from actinomycetes; inhibits myeloperoxidase release from human polymorphonuclear leukocytes; structure given in first source; RN given refers to cpd without isomeric designation
branched-chain saturated fatty acid;
long-chain fatty acid
vidarabineadenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.beta-D-arabinoside;
purine nucleoside
antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
diadenosine tetraphosphateP(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions.diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite
alverine citratecitrate salt;
organoammonium salt
antispasmodic drug;
cholinergic antagonist
3,3',5'-triiodothyronineiodothyroninehuman metabolite
cetylpyridinium chloridehydrate
olsalazineolsalazine : An azobenzene that consists of two molecules of 4-aminosalicylic acid joined by an azo linkage. A prodrug for mesalazine, an anti-inflammatory drug, it is used (as the disodium salt) in the treatment of inflammatory bowel disease.

olsalazine: cpd with 2 salicylate molecules linked together by an azo bond
azobenzenes;
dicarboxylic acid
non-steroidal anti-inflammatory drug;
prodrug
octocrylenediarylmethane
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineflavin
4-(4-dimethylaminophenylazo)benzoic acid4-(4-dimethylaminophenylazo)benzoic acid: structure given in first source
lobendazolebenzimidazoles;
carbamate ester
c.i. acid red 114, disodium saltC.I. Acid Red 114: source gives many trade names; structure in first source
3-deazaadenosine3-deazaadenosine: RN given refers to parent cpd.
d-glutamateD-alpha-amino acid;
glutamic acid
Escherichia coli metabolite;
mouse metabolite
2-benzylaminopyridine
benzeneseleninic acidbenzeneseleninic acid: structure given in first source
zolertinezolertine: RN given refers to parent cpd; structure
dimethyldodecylbenzylammoniumbenzododecinium bromide : The organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties.organic bromide salt;
quaternary ammonium salt
antiseptic drug;
disinfectant;
surfactant
etidronate disodiumetidronate disodium : An organic sodium salt resulting from the replacement of two protons from etidronic acid (one from from each of the phosphonic acid groups) by sodium ions.organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator
zalcitabinezalcitabine : A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.

Zalcitabine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy.
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
6-nitrochrysene6-nitrochrysene: RN given refers to cpd with locant for nitro group in position 6carbopolycyclic compound
phosphoric acid, trisodium saltsodium phosphate
perchloric acidchlorine oxoacid
sodium nitratesodium nitrate : The inorganic nitrate salt of sodium.inorganic nitrate salt;
inorganic sodium salt
fertilizer;
NMR chemical shift reference compound
iodic acidiodic acid: RN given refers to parent cpdiodine oxoacidastringent
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
sodium pyrophosphatesodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt.

sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure
inorganic sodium saltchelator;
food emulsifier;
food thickening agent
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
potassium nitratepotassium nitrate : The inorganic nitrate salt of potassium.

potassium nitrate: RN given refers to cpd with MF of K-HNO3; when combined with charcoal and sulfur it can form EXPLOSIVE AGENTS
inorganic nitrate salt;
potassium salt
fertilizer
sodium sulfateinorganic sodium salt
bromic acidbromine oxoacid
metoprinemetoprine: histamine methyltransferase antagonist
nitrous acidNitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed)nitrogen oxoacid
hydrazoic acidnitrogen hydride
fluorosulfonic acidperfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymersulfur oxoacidNMR solvent
hydroiodic acidhydrogen iodide : A diatomic molecule containing covalently bonded hydrogen and iodine atoms.gas molecular entity;
hydrogen halide;
mononuclear parent hydride
mouse metabolite
hydroxyzine pamoatepiperazinium salt
stanozololstanozolol : An organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes.

Stanozolol: A synthetic steroid that has anabolic and androgenic properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1194)
17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol
anabolic agent;
androgen
chloropyraminechloropyramine: RN given refers to parent cpd; structureaminopyridine
clodronic acidclodronic acid : An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases.

Clodronic Acid: A diphosphonate which affects calcium metabolism. It inhibits bone resorption and soft tissue calcification.
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound
antineoplastic agent;
bone density conservation agent
mafenide acetatecarboxylic acid
sodium selenatesodium selenate : An inorganic sodium salt having selenate as the counterion.inorganic sodium saltanticonvulsant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
fertilizer
pyrazophospyrazophos : A member of the class of pyrazolopyrimidines that is the ethyl ester of 2-[(diethoxyphosphorothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid. A profungicide (by hydrolysis of the thionophosphate group to afford the corresponding 2-hydroxypyrazolopyrimidine fungicide), it is used to control Erysiphe, Helminthosporium and Rhynchospium in cereals.

pyrazophos: structure
ethyl ester;
organic thiophosphate;
pyrazolopyrimidine
antifungal agrochemical;
insecticide;
phospholipid biosynthesis inhibitor;
profungicide
pyrithione zinczinc coordination entity
(1S,2R)-tranylcypromine(1S,2R)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1S,2R)-enantiomer of tranylcypromine.2-phenylcyclopropan-1-amine
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
3-methyl-2-quinoxalinolquinoxaline derivative
bisoxatin acetatebisoxatin acetate: structure given in first sourceorganic molecular entity
salendisalicylaldehyde ethylenediamine: reagents for determination of iron
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
cloforexcloforex: carbamic ethyl ester of chlorphentermine; structure in Negwer, 5th ed, #2275amphetamines
selegiline hydrochloride, (r)-isomerhydrochloride;
terminal acetylenic compound
antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor
phytanic acidphytanic acid : A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15.

Phytanic Acid: A 20-carbon branched chain fatty acid. In phytanic acid storage disease (REFSUM DISEASE) this lipid may comprise as much as 30% of the total fatty acids of the plasma. This is due to a phytanic acid alpha-hydroxylase deficiency.
branched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid
levamisolelevamisole : A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine.

Levamisole: An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6)
6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
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
thiamphenicolmonocarboxylic acid amide;
sulfone
antimicrobial agent;
immunosuppressive agent
pancuronium bromidepancuronium bromide : A bromide salt consisting of two bromide ions and one pancuronium dication.bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
cephalexincephalexin : A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract.

Cephalexin: A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of CEPHALORIDINE or CEPHALOTHIN, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms.
beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug
2,2',6,6'-tetrachlorobiphenyl2,2',6,6'-tetrachlorobiphenyl: structure in first source
gestrinoneGestrinone: A non-estrogenic contraceptive which is a weak progestin with strong anti-progesterone properties. It is effective if used once a week orally or can also be used in intravaginal devices.oxo steroid
gidifen
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
levamisole hydrochlorideorganic molecular entity
sodium bisulfidesodium bisulfide: RN given refers to sodium sulfide (Na(SH)); see also record for sodium sulfide (Na2S)
ornidazoleornidazole : A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 3-chloro-2-hydroxypropyl and methyl groups, respectively. It is used in the treatment of susceptible protozoal infections and for the treatment of anaerobic bacterial infections.

Ornidazole: A nitroimidazole antiprotozoal agent used in ameba and trichomonas infections. It is partially plasma-bound and also has radiation-sensitizing action.
C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol
antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
fluorideshalide anion;
monoatomic fluorine
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
18-crown-618-crown-6 : A crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms.crown ether;
saturated organic heteromonocyclic parent
phase-transfer catalyst
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
n-(cyclohexylthio)phthalimideN-(cyclohexylthio)phthalimide: water pollutant
fenclozic acidfenclozic acid: an analgesic & antipyretic with anti-inflammatory properties; minor descriptor (75-86); on-line & INDEX MEDICUS search THIAZOLES (75-86); RN given refers to parent cpd
fentiazacthiazoles
1-(trimethylsilyl)-1h-imidazoleN-trimethylsilylimidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a trimethylsilyl group. N-trimethylsilylimidazole is a derivatisation agent used in gas chromatography/mass spectrometry applications.imidazoles;
N-silyl compound
chromatographic reagent
pipoxolan monohydrochloride
mecysteinemecysteine: RN given refers to parent cpd(L)-isomer

methyl L-cysteinate : An L-cysteinyl ester resulting from the formal condensation of the carboxylic acid group of L-cysteine with methanol. It is used (as the hydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough.
L-cysteinyl ester;
primary amino compound;
thiol
mucolytic
oryzalinoryzalin : A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group.

oryzalin: a dinitroaniline; preemergence herbicide; structure
aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound
agrochemical;
antimitotic;
herbicide
1-deoxynojirimycin1-deoxy-nojirimycin: structure in first source

duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.
2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid
anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite
iodinehalide anion;
monoatomic iodine
human metabolite
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
padimate-opadimate-O: active ingredient in sunscreen productsbenzoate ester
capobenic acidbenzamides
lofexidinelofexidine: reduces narcotic withdrawal symptoms; RN given refers to parent cpd without isomeric designation; structure in Negwer, 5th ed, #6247aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles
alpha-adrenergic agonist;
antihypertensive agent
diftalone
fludarabine phosphatefludarabine phosphate : A purine arabinonucleoside monophosphate having 2-fluoroadenine as the nucleobase. A prodrug, it is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intracellularly by deoxycytidine kinase to the active triphosphate, 2-fluoro-ara-ATP. Once incorporated into DNA, 2-fluoro-ara-ATP functions as a DNA chain terminator. It is used for the treatment of adult patients with B-cell chronic lymphocytic leukemia (CLL) who have not responded to, or whose disease has progressed during, treatment with at least one standard alkylating-agent containing regimenas.

fludarabine phosphate: structure given in first source
nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate
antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
phosphotyrosineO(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.

Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine
Escherichia coli metabolite;
immunogen
2,6-diaminopurine9H-purine-2,6-diamine : A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups.2,6-diaminopurines;
primary amino compound
antineoplastic agent
fenamiphosorganophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
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
bromocriptineBromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
ergocristineergocristine : Ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.

ergocristine: an ergot alkaloid; one of the three components of ergotoxine; has alpha blocking action, stimulates smooth muscles & antagonizes serotonin; used as oxytocic & in peripheral disorders; minor descriptor (77-86); on-line & INDEX MEDICUS search EROLINES (77-86); RN given refers to ((5'alpha)-isomer)
ergot alkaloid
cetalkonium chloridecetalkonium chloride: Note: Bonjela is a multimeaning drug name.
1,2-diphenylhydrazine
acetylacetoneacetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.beta-diketone
cetyldimethylethylammonium bromide
triamcinolonetriamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.

Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739)
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
oxyphenisatinindoles
thymolphthaleinThymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.terpene lactone
sucrose octaacetatesucrose octaacetate: bitter tasting cpd preferred by rats to quinine; RN given refers to ((beta-D)-fructofuranosyl)-isomerglycoside
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
butylated hydroxytoluene2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.phenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
2,6-di-tert-butylphenol2,6-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6.

2,6-di-tert-butylphenol: RN given refers to parent cpd
alkylbenzene;
phenols
antioxidant
1,4-diaminoanthraquinone
rafoxanideRafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations.
silybinsilibinin : A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities.aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone
antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
benzonidazolebenznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.

benzonidazole: used in treatment of Chagas' disease
C-nitro compound;
imidazoles;
monocarboxylic acid amide
antiprotozoal drug
enfenamic acidenfenamic acid: inhibits platelet aggregationaminobenzoic acid
halazepamhalazepam: structureorganic molecular entity
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
rose bengal b disodium salt
clobetasol propionateclobetasol propionate : The 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis.

Clobetasol Propionate: This is the form in trademark preparations.
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid
anti-inflammatory drug
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneanthracycline
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
clometacinclometacin: structureN-acylindole
cefazolincefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.

Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.
beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles
antibacterial drug
oxypeucadanin, (s)-(-)-isomerepoxide;
furanocoumarin;
lactone
plant metabolite
frentizolefrentizole: RN given refers to parent cpd
pivampicillinpivampicillin : A penicillanic acid ester that is the pivaloyloxymethyl ester of ampicillin. It is a prodrug of ampicillin.

Pivampicillin: Pivalate ester analog of AMPICILLIN.
penicillanic acid ester;
pivaloyloxymethyl ester
prodrug
2-n-octyl-4-isothiazolin-3-oneocthilinone : A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union.1,2-thiazolesantibacterial agent;
antifungal agrochemical;
environmental contaminant;
xenobiotic
sodium azidesodium azide : The sodium salt of hydrogen azide (hydrazoic acid).

Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed)
inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
azidesazide : Any nitrogen molecular entity containing the group -N3.

Azides: Organic or inorganic compounds that contain the -N3 group.
pseudohalide anionmitochondrial respiratory-chain inhibitor
lofepramine hydrochloridehydrochlorideantidepressant
amoxicillinamoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.

Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.
penicillin;
penicillin allergen
antibacterial drug
timolol(S)-timolol (anhydrous) : The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
indoraminIndoramin: An alpha-1 adrenergic antagonist that is commonly used as an antihypertensive agent.tryptamines
penfluridolPenfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS.diarylmethane
ensulizoleensulizole: sunscreening agent; structure in first sourcebenzimidazoles
tolindateindanes
nicomolnicomol: structureorganic molecular entity
oxcarbazepineoxcarbazepine : A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy.

Oxcarbazepine: A carbamazepine derivative that acts as a voltage-gated sodium channel blocker. It is used for the treatment of PARTIAL SEIZURES with or without secondary generalization. It is also an inducer of CYTOCHROME P-450 CYP3A4.
cyclic ketone;
dibenzoazepine
anticonvulsant;
drug allergen
carbidopacarbidopa (anhydrous) : 3-(3,4-Dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used (commonly as its hydrate) in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.catechols;
hydrazines;
monocarboxylic acid
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
canadinecanadine : A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10.

canadine: RN given refers to cpd without isomeric designation; structure
aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
moricizinemoricizine : A phenothiazine substituted on the nitrogen by a 3-(morpholin-4-yl)propanoyl group, and at position 2 by an (ethoxycarbonyl)amino group.

Moricizine: An antiarrhythmia agent used primarily for ventricular rhythm disturbances.
carbamate ester;
morpholines;
phenothiazines
anti-arrhythmia drug
2-aminotetralin2-aminotetralin: RN given refers to parent cpd without isomeric designation; structuretetralins
s-adenosylmethionineacylcarnitine: structure in first source

S-adenosyl-L-methioninate : A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group.
sulfonium betainehuman metabolite
bitolterolbitolterol : The di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema.

bitolterol: RN given refers to parent cpd; structure
carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
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
etofenamateetofenamate: structurebenzoate ester
feprazoneFeprazone: A pyrazole that has analgesic, anti-inflammatory, and antipyretic properties. It has been used in mild to moderate pain, fever, and inflammation associated with musculoskeletal and joint disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p15)organic molecular entity
7-ethoxycoumarin7-ethoxycoumarin : A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group.aromatic ether;
coumarins
4-hydroxyphenylglycine, (s)-isomerL-4-hydroxyphenylglycine : The L-enantiomer of 4-hydroxyphenylglycine.4-hydroxyphenylglycine
procymidoneprocymidone : An azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases.
tobramycintobramycin : A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring.

Tobramycin: An aminoglycoside, broad-spectrum antibiotic produced by Streptomyces tenebrarius. It is effective against gram-negative bacteria, especially the PSEUDOMONAS species. It is a 10% component of the antibiotic complex, NEBRAMYCIN, produced by the same species.
amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
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
etomidateethnor: an adsorbable haemostatic bone sealantimidazoles
hc blue no. 2C-nitro compound
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
acetosulfameacesulfame : A sulfamate ester that is 1,2,3-oxathiazin-4(3H)-one 2,2-dioxide substituted by a methyl group at position 6.

acetosulfame: RN given refers to parent cpd
organic heteromonocyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
sulfamate ester
environmental contaminant;
sweetening agent;
xenobiotic
propafenone hydrochloridepropafenone hydrochloride : A hydrochloride that is the monohydrochloride salt of propafenone. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used in the management of supraventricular and ventricular arrhythmias.hydrochlorideanti-arrhythmia drug
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
etazolate hydrochloride
diamfenetideDiamfenetide: Anthelmintic. It has been shown to be useful in fasciola infections in sheep.
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
2-amino-5,6-dihydroxytetralin2-amino-5,6-dihydroxytetralin: RN given refers to parent cpd without isomeric designation; structure
amikacinamikacin : An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group.

Amikacin: A broad-spectrum antibiotic derived from KANAMYCIN. It is reno- and oto-toxic like the other aminoglycoside antibiotics.
alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide
antibacterial drug;
antimicrobial agent;
nephrotoxin
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
climbazole1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3.aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes
zinterol
10-carboxymethyl-9-acridanone10-carboxymethyl-9-acridanone: RN given refers to parent cpdacridines
carbidopacatechols;
hydrate;
hydrazines;
monocarboxylic acid
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradinecephradine : A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton.

Cephradine: A semi-synthetic cephalosporin antibiotic.
beta-lactam antibiotic allergen;
cephalosporin
antibacterial drug
4-(4-chlorophenyl)-4-hydroxypiperidine4-(4'-chlorophenyl)-4-piperidinol: structure given in first source; N-dealkylated model of haloperidolpiperidines
5-Methoxyisatinindolesanticoronaviral 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
ciclopirox olamineciclopirox olamine : The ethanolamine salt of ciclopirox. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections.
bezafibratearomatic ether;
monocarboxylic acid;
monocarboxylic acid amide;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
5-(3-methylphenoxy)-2(1h)-pyrimidinone5-(3-methylphenoxy)-2(1H)-pyrimidinone: a Lyn kinase activator and antidiabetic agent; structure in first source
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
clopiracclopirac: RN given refers to parent cpdpyrroles
2-Acetyl-7-methoxybenzofuranbenzofurans
1-methyl-4-phenylpyridinium1-Methyl-4-phenylpyridinium: An active neurotoxic metabolite of 1-METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE. The compound reduces dopamine levels, inhibits the biosynthesis of catecholamines, depletes cardiac norepinephrine and inactivates tyrosine hydroxylase. These and other toxic effects lead to cessation of oxidative phosphorylation, ATP depletion, and cell death. The compound, which is related to PARAQUAT, has also been used as an herbicide.

N-methyl-4-phenylpyridinium : A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
n-acetyl-4-benzoquinoneimineN-acetyl-4-benzoquinoneimine: reactive arylating intermediate from acetaminophen & N-hydroxyacetaminophen; structure given in first sourceketoimine;
quinone imine
vecuronium bromidevecuronium bromide : The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents.

Vecuronium Bromide: Monoquaternary homolog of PANCURONIUM. A non-depolarizing neuromuscular blocking agent with shorter duration of action than pancuronium. Its lack of significant cardiovascular effects and lack of dependence on good kidney function for elimination as well as its short duration of action and easy reversibility provide advantages over, or alternatives to, other established neuromuscular blocking agents.
organic bromide salt;
quaternary ammonium salt
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
iem 611IEM 611: RN given refers to parent cpd; structure
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
benoxaprofenbenoxaprofen : A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals.

benoxaprofen: RN given refers to parent cpd; structure
1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes
antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
phenazepam
aminomebendazoleaminomebendazole: structure in first sourcebenzophenones
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
Nanaomycinbenzoisochromanequinone
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidchromanol;
monocarboxylic acid;
phenols
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
desogestrelDesogestrel: A synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents (ORAL CONTRACEPTIVES, COMBINED).17beta-hydroxy steroid;
terminal acetylenic compound
contraceptive drug;
progestin;
synthetic oral contraceptive
nicardipine hydrochloridedihydropyridinegeroprotector
3,3',5,5'-tetramethylbenzidineT1023: radioprotective NO-Synthase Inhibitor
acitretinretinoid
triadimenoltriadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
oxepinacoxepinac: non-steroidal anti-inflammatory drug; RN given refers to parent cpd; structure in first source & Negwer, 5th ed, #6399
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
sufentanilsufentanil : An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.

Sufentanil: An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent.
anilide;
ether;
piperidines;
thiophenes
anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
acarbosetetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
torsemidetorasemide : An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure.

Torsemide: A pyridine and sulfonamide derivative that acts as a sodium-potassium chloride symporter inhibitor (loop diuretic). It is used for the treatment of EDEMA associated with CONGESTIVE HEART FAILURE; CHRONIC RENAL INSUFFICIENCY; and LIVER DISEASES. It is also used for the management of HYPERTENSION.
aminopyridine;
N-sulfonylurea;
secondary amino compound
antihypertensive agent;
loop diuretic
cefmetazolecefmetazole : A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure.

Cefmetazole: A semisynthetic cephamycin antibiotic with a broad spectrum of activity against both gram-positive and gram-negative microorganisms. It has a high rate of efficacy in many types of infection and to date no severe side effects have been noted.
cephalosporinantibacterial drug
4'-ethynyl-2-fluorobiphenyl4'-ethynyl-2-fluorobiphenyl: structure
2-aminosulfonyl-benzoic acid methyl ester2-aminosulfonyl-benzoic acid methyl ester : A benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl.benzoate ester;
methyl ester;
sulfonamide
marine xenobiotic metabolite
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
s-2678XI-006: diminishes MDM4 promoter activity; structure in first source
lorcainideacetamides
idarubicinIdarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
midazolam hydrochloridemidazolam hydrochloride : The hydrochloride salt of midazolam.hydrochloride;
imidazobenzodiazepine
anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
propiconazoleOrbit: Bony cavity that holds the eyeball and its associated tissues and appendages.conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
tiopinac
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
Nitrothal-isopropyldiester;
isopropyl ester;
nitrobenzoic acid
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
acifluorfen, sodium salt
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
bopindolol1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate : A methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group.

bopindolol : A racemate comprising of equal amounts of (R)-bopindolol and (S)-bopindolol. It is a non-selective antagonist of beta1- and beta2-adrenoceptors and a prodrug in which the ester group is hydrolysed to form the corresponding hydroxy derivative.

bopindolol: RN given refers to cpd without isomeric designation
aromatic ether;
benzoate ester;
methylindole;
secondary amino compound
progabideprogabide: GABA agonist; structurediarylmethane
cefoperazonecefoperazone : A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance.

Cefoperazone: Semisynthetic broad-spectrum cephalosporin with a tetrazolyl moiety that is resistant to beta-lactamase. It may be used to treat Pseudomonas infections.
cephalosporinantibacterial drug
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
foscarnet sodiumtrisodium phosphonoformate : The trisodium salt of phosphonoformic acid. It is used 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.one-carbon compound;
organic sodium salt
antiviral drug
indalpineindalpine: selective 5-hydroxytryptamine uptake inhibitor; RN given refers to parent cpdindoles
atracurium besylateatracurium besylate : The bisbenzenesulfonate salt of atracurium.organosulfonate salt;
quaternary ammonium salt
muscle relaxant;
nicotinic antagonist
butoconazole nitratebutoconazole nitrate : An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
lidamidinelidamidine: synonym WHR-1142A refers to HCl; structureureas
nicorandilnicorandil : A pyrimidinecarboxamide that is nicotinamide in which one of the hydrogens attached to the carboxamide nitrogen is replaced by a 2-(nitrooxy)ethyl group. It has both nitrate-like and ATP-sensitive potassium channel activator properties, and is used for the prevention and treatment of angina pectoris.

Nicorandil: A derivative of the NIACINAMIDE that is structurally combined with an organic nitrate. It is a potassium-channel opener that causes vasodilatation of arterioles and large coronary arteries. Its nitrate-like properties produce venous vasodilation through stimulation of guanylate cyclase.
nitrate ester;
pyridinecarboxamide
potassium channel opener;
vasodilator agent
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.
pergolide mesylatepergolide mesylate : A methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
flutolanilflutolanil : A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-(trifluoromethyl)benzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control a range of pathogens especially Rhizoctonia spp. on rice, turf and other crops.(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide
antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
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
cefadroxil anhydrouscefadroxil : A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.

Cefadroxil: Long-acting, broad-spectrum, water-soluble, CEPHALEXIN derivative.
cephalosporinantibacterial drug
1,2-di(5-amidino-2-benzofuranyl)ethane1,2-di(5-amidino-2-benzofuranyl)ethane: preferential inhibitor of bovine factor Xa; structure given in first source
talniflumatetalniflumate: an anti-inflammatory molecule for the treatment of cystic fibrosis, chronic obstructive pulmonary disease and asthmabenzofurans
fenoldopam mesylatebenzazepine
iso-sulfan blueiso-sulfan blue: 2,5-disulfobenzylidene-isomer of sulfan blue; RN given refers to Na salt; structure in first source
triclabendazolearomatic ether
nedocromilNedocromil: A pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with ASTHMA, including EOSINOPHILS; NEUTROPHILS; MACROPHAGES; MAST CELLS; MONOCYTES; AND PLATELETS.dicarboxylic acid;
organic heterotricyclic compound
anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug
fialuridine
sulbactam pivoxyl
cefaclor anhydrouscefaclor : A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.

Cefaclor: Semisynthetic, broad-spectrum antibiotic derivative of CEPHALEXIN.
cephalosporinantibacterial drug;
drug allergen
pefloxacinpefloxacin : A quinolone that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6 and 7 by ethyl, carboxy, fluorine, and 4-methylpiperazin-1-yl groups, respectively.

Pefloxacin: A synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria.
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone;
quinolone antibiotic
antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
mitoxantrone hydrochloridehydrochlorideantineoplastic agent
alfentanilalfentanil : A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position.

Alfentanil: A short-acting opioid anesthetic and analgesic derivative of FENTANYL. It produces an early peak analgesic effect and fast recovery of consciousness. Alfentanil is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients.
monocarboxylic acid amide;
piperidines
central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
miglustatmiglustat : A hydroxypiperidine that is deoxynojirimycin in which the amino hydrogen is replaced by a butyl group.

miglustat: a glucosylceramide synthase inhibitor
piperidines;
tertiary amino compound
anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
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
fenticonazole1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole : A member of the class of imidazoles that carries a 2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl group at position 1.

fenticonazole : A racemate comprising equimolar amounts of (R)- and (S)-fenticonazole. Used (as its nitrate salt) for the treatment of vaginal candidiasis.

fenticonazole: structure given in first source; RN given refers to parent cpd
aryl sulfide;
dichlorobenzene;
ether;
imidazoles
indecainideindecainide: structure given in first source; RN given refers to parent cpdfluorenes
1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanonearomatic ketone
dazoxibendazoxiben: RN given refers to parent cpd
cefotetancefotetan : A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms.

Cefotetan: A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms.
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
flupirtineflupirtine: RN given refers to parent cpd without isomeric designationaminopyridine
chaetochrominchaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A
tolrestattolrestat: RN & structure given in first sourcenaphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
rimcazolerimcazole: RN given refers to (cis)-isomer; structure given in first sourcecarbazoles
dazmegrel
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
steproninN-acyl-amino acid
locerylamorolfine : A member of the class of morpholines that is cis-2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a racemic 2-methyl-3-[p-(2-methylbutan-2-yl)phenyl]propyl group. An inhibitor of the action of squalene monooxygenase, Delta(14) reductase and D7-D8 isomerase and an antifungal agent, it is used (generally as its hydrochloride salt) for the topical treatment of fungal nail and skin infections.

amorolfine: RN given refers to parent cpd
morpholine antifungal drug;
tertiary amino compound
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
fanetizole
bm 13505daltroban: thromboxane antagonist
azelastine hydrochlorideazelastine hydrochloride : The hydrochloride salt of azelastine.hydrochlorideanti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
piritreximpiritrexim: RN given refers to parent cpd; structure given in first source
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
idazoxanidazoxan : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group.

Idazoxan: A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity.
benzodioxine;
imidazolines
alpha-adrenergic antagonist
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
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
cabergolinecabergoline : An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia.

Cabergoline: An ergoline derivative and dopamine D2-agonist that inhibits PROLACTIN secretion. It is used in the management of HYPERPROLACTINEMIA, and to suppress lactation following childbirth for medical reasons. Cabergoline is also used in the management of PARKINSON DISEASE.
N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
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
nsc 330770NSC 330770: structure given in first source
moexipril hydrochloridedipeptide
ci 906quinapril hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of quinapril and hydrogen chloride. A prodrug for quinaprilat hydrochloride (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) for the treatment of hypertension and congestive heart failure.hydrochlorideantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
quinaprilquinapril : A member of the class of isoquinolines that is (3S)-2-L-alanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid in which the alpha-amino group of the alanyl residue has been substituted by a 1-ethoxycarbonyl-4-phenylbutan-2-yl group (the all-S isomer). A prodrug for quinaprilat (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) used (generally as the hydrochloride salt) for the treatment of hypertension and congestive heart failure.

Quinapril: A tetrahydroisoquinoline derivative and ANGIOTENSIN CONVERTING ENZYME inhibitor that is used in the treatment of HYPERTENSION and HEART FAILURE.
dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
alpidemimidazoles
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
itraconazoleitraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.

Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.
aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
pinacidilorganic molecular entity
pirmagrelpirmagrel: structure given in first source
dopexaminedopexamine: RN given refers to parent cpd; structure given in first sourcecatecholamine
2-demethylthiocolchicine2-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85
3-deazaguanine3-deazaguanine: structure
detomidine hydrochloride
lonapaleneRS 43179: used in treatment of psoriasisnaphthalenes;
organochlorine compound
pravadoline
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
eticloprideeticlopride: blocks dopamine-D2 binding sites; structure given in first source; RN given refers to (S)-isomersalicylamides
finasteridefinasteride : An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia.

Finasteride: An orally active 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE inhibitor. It is used as a surgical alternative for treatment of benign PROSTATIC HYPERPLASIA.
3-oxo steroid;
aza-steroid;
delta-lactam
androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
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
sematilidesematilide: RN refers to HCl; structure given in first source
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
adefoviradefovir : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection.

adefovir: inhibitor of African swine fever virus

adefovir(1-) : A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
6-aminopurines;
ether;
phosphonic acids
antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
loxiglumideloxiglumide: cholecystokinin receptor antagonist; RN refers to (+-)-isomer; structure in first sourceorganic molecular entity
aromasil17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
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
remacemideremacemide: structure given in first sourcestilbenoid
tebufelonetebufelone: structure given in first source
pioglitazone hydrochloridearomatic ether
ecadotril
succinylsulfanilamide
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
mibefradilMibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.tetralinsT-type calcium channel blocker
besipirdinebesipirdine: structure given in first source; a non-receptor-dependent cholinomimetic agent with noradrenergic activity with potential use for treating Alzheimer's disease
sezolamidesezolamide: decreases intraocular pressure, topically in vivo; inhibits carbonic anhydrase; RN given refers to parent cpd without isomeric designation
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
eliprodil1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4.monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
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
gemcitabine hydrochloridehydrochloride;
organofluorine compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent
gemcitabinegemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
temoporfintemoporfin: used as PHOTOCHEMOTHERAPY
alosetron hydrochloridealosetron hydrochloride : The hydrochloride salt of alosetron.hydrochlorideantiemetic;
serotonergic antagonist
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
monatepilmonatepil: structure in first source; RN refers to 1:1 maleate salt (AJ 2615)dibenzothiepine
atorvastatin calcium anhydrousorganic calcium salt
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
duloxetine hydrochloride(S)-duloxetine hydrochloride : A duloxetine hydrochloride in which the duloxetine moiety has S configuration.

Duloxetine Hydrochloride: A thiophene derivative and selective NEUROTRANSMITTER UPTAKE INHIBITOR for SEROTONIN and NORADRENALINE (SNRI). It is an ANTIDEPRESSIVE AGENT and ANXIOLYTIC, and is also used for the treatment of pain in patients with DIABETES MELLITUS and FIBROMYALGIA.
duloxetine hydrochlorideantidepressant
duloxetineduloxetine
irinotecancarbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
aptiganelaptiganel: NMDA receptor antagonist used to study the effects of stroke; structure given in first source; RN given refers to hydrochloridenaphthalenes
valsartanvalsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.

Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.
biphenylyltetrazole;
monocarboxylic acid;
monocarboxylic acid amide
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
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
zanamivirZanamivir: A guanido-neuraminic acid that is used to inhibit NEURAMINIDASE.guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
zolmitriptanzolmitriptan : A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.

zolmitriptan: an antimigraine compound; a serotonin (5HT)-1D receptor agonist
oxazolidinone;
tryptamines
anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
darglitazone
adefovir dipivoxiladefovir pivoxil : An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection.

bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine: structure given in first source
6-aminopurines;
carbonate ester;
ether;
organic phosphonate
antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
emtricitabineemtricitabine : An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection.

Emtricitabine: A deoxycytidine analog and REVERSE TRANSCRIPTASE INHIBITOR with antiviral activity against HIV-1 and HEPATITIS B viruses. It is used to treat HIV INFECTIONS.
monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone
antiviral drug;
HIV-1 reverse transcriptase inhibitor
tasosartantasosartan: angiotensin II antagonist; structure given in first sourcebiphenyls
mk 0591MK 0591: structure given in first source; MK 0591 was previously L-686,708; inhibits leukotriene biosynthesis by inhibiting 5-lipoxygenase activating protein
tiludronic acidtiludronic acid: a bone resorption inhibitor; an antihypercalcemic agent; used in the tratment of Paget's disease; used in the treatment and prevention of osteoporosis; structure given in first sourceorganochlorine compound
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
Pronetalol hydrochlorideorganic molecular entity
cryogeninephenylhydrazines
phenelzine sulfateorganic molecular entity
3-methyl-1,2-cyclopentanedione3-methyl-1,2-cyclopentanedione: a peroxynitrite scavenger isolated from coffee extract; structure in first sourcecyclic ketone
octyl gallategallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
Allyl nonanoatefatty acid ester
vanadatesvanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.

Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.
trivalent inorganic anion;
vanadium oxoanion
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
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
benzylaminopurinebenzylaminopurine: a plant growth regulator

N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.
6-aminopurinescytokinin;
plant metabolite
isothiocyanic acidhydracid;
one-carbon compound
5-Aminoacenaphthenenaphthalenes
sodium persulfatesodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt
tenocyclidinetenocyclidine : A tertiary amino compound that consists of cyclohexane having piperidin-1-yl and thiophen-2-yl groups attached at position 1. A dissociative anaesthetic drug with halluccinogenic and stimulant effects. Its effects are similar to those of phencyclidine (PCP, an analogue with the thienyl group replaced by phenyl), but it is rather more potent.piperidines;
tertiary amino compound;
thiophenes
central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist
2-amino-9h-pyrido(2,3-b)indole2-amino-9H-pyrido(2,3-b)indole: pyrolysis product of soybean globulins; RN given refers to unlabeled cpd; structurepyridoindole
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
propranolol hydrochlorideInderex: combination of above cpds; used in treatment of hypertensionhydrochloride
bupropion hydrochloridearomatic ketone
trazodone hydrochloridetrazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride.

Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
fosinoprilatfosinoprilat : A phosphinic acid-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. An inhibitor of angiotensin converting enzyme (ACE), it is used as the phosphinate ester pro-drug fosinopril for treatment of hypertension and chronic heart failure.

fosinoprilat: active phosphinic acid metabolite of prodrug fosenopril, which is activated by esterases in vivo; structure given in first source; binds zinc with phosphinic acid group
L-proline derivative;
phosphinic acids
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
verapamil hydrochlorideverapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.
doxazosin mesylateCardura: Trade name in United States.methanesulfonate saltgeroprotector
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
tramadol hydrochloride(R,R)-tramadol hydrochloride : A hydrochloride resulting from the reaction of (R,R)-tramadol with 1 molar equivalent of hydrogen chloride; the (R,R)-enantiomer of the racemic opioid analgesic tramadol hydrochloride, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer.

tramadol hydrochloride : A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol hydrochloride. A centrally acting synthetic opioid analgesic, used to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer.
hydrochlorideadrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
2,4(1h,3h)-quinazolinedione2,4(1H,3H)-quinazolinedione: structure given in first source
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
rolofyllinerolofylline: selective antagonist for adenosine receptors; a cardiovascular agentoxopurine
amodiaquine hydrochloridehydrochlorideanticoronaviral agent
meclizine monohydrochloride
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
bupivacaine hydrochloride1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride : A hydrochloride obtained by combining 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide with one molar equivalent of hydrochloric acid.

bupivacaine hydrochloride (anhydrous) : A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride and levobupivacaine hydrochloride. The monohydrate form is commonly used as a local anaesthetic.
hydrochloride;
racemate
adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
fenoprofen calciumhydrateantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
alfentanil hydrochloride
bts 54 524
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
methylglucoside, (alpha-d)-isomermethyl alpha-D-glucopyranoside : An alpha-D-glucopyranoside having a methyl substituent at the anomeric position.alpha-D-glucoside;
methyl D-glucoside
n-methylnicotinamideN-methylnicotinamide : A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group.

N-methylnicotinamide: structure
pyridinecarboxamidemetabolite
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
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
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
abbott 77003Abbott 77003: a symmetry-based inhibitor of HIV-1 protease
calanolide bcalanolide B: structure given in first source; one of a novel class of HIV-inhibiting coumarins from the tropical rainforest tree, Calophyllum lanigerum
plerixaforplerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.

plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound
anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
amprenavircarbamate ester;
sulfonamide;
tetrahydrofuryl ester
antiviral drug;
HIV protease inhibitor
oseltamiviroseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.

Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.
acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
allicinbotanical anti-fungal agent;
sulfoxide
antibacterial agent
diacetylfluorescein
diphenylcyclopropenonediphenylcyclopropenone : A cyclopropenone compound having phenyl substituents at the 2- and 3-positions.

diphenylcyclopropenone: strong contact sensitizer; a photosensitizing agent; RN given refers to parent cpd; structure given in first source
cyclopropenonedrug allergen;
hapten;
photosensitizing agent
epigallocatechin gallate(-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.

epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis)
flavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
5-dimethylaminonaphthalene-1-sulfonamide
fluorexonfluorexon: structurexanthene dyefluorochrome
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
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
hexamidinehexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.aromatic ether;
guanidines;
polyether
antimicrobial agent;
antiseptic drug
2',3'-didehydro-2',3'-dideoxyuridine
metaperiodatePeriodic Acid: A strong oxidizing agent.iodine oxoacid
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
aristeromycinaristeromycin: RN given refers to (1R-(1alpha,2alpha,3beta,5alpha)-isomer
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-deoxy-2,3-dehydro-n-acetylneuraminic acid2-deoxy-2,3-dehydro-N-acetylneuraminic acid : N-Acetylneuraminic acid reduced across the 2,3-bond with loss of the hydroxy group at C-2; it is a minor component of body fluids although abundant in sialuria.

2-deoxy-2,3-dehydro-N-acetylneuraminic acid: also known as NeuAc2en, but this is also synonym for another compound
N-acetylneuraminic acids
mefloquine hydrochloridehydrochloride
ticlopidine hydrochloridehydrochloride
proadifen hydrochloride
epirubicin hydrochloride
glutathione disulfideGlutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.glutathione derivative;
organic disulfide
Escherichia coli metabolite;
mouse metabolite
secoisolariciresinol(-)-secoisolariciresinol : An enantiomer of secoisolariciresinol having (-)-(2R,3R)-configuration.

secoisolariciresinol : A lignan that is butane-1,4-diol in which the 2 and 3 positions are substituted by 4-hydroxy-3-methoxybenzyl groups

secoisolariciresinol: RN given refers to ((R-(R*,R*))-isomer); RN for cpd without isomeric designation not available 8/89; precursor of lignans found in human urine; structure given in first source
secoisolariciresinolantidepressant;
phytoestrogen;
plant metabolite
phenylethane boronic acid
fenclofenacfenclofenac: RN given refers to parent cpdaromatic ether
sinefunginadenosines;
non-proteinogenic alpha-amino acid
antifungal agent;
antimicrobial agent
proxicromilproxicromil: RN given refers to parent cpd; structure
sufentanil citrateanilide
sulconazole, mononitrate, (+-)-isomerconazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
16-hydroxytestosterone16-hydroxytestosterone: RN given refers to (16alpha,17beta)-isomer

16alpha-hydroxytestosterone : A C19-steroid that is testosterone in which the hydrogen at the 16alpha position has been replaced by a hydroxy group.
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid;
diol;
secondary alcohol
androgen
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
propoxatepropoxate: RN given refers to (+-)-isomer; RN for cpd without isomeric designation not avail 3/90
benzoclidinebenzoclidine: Russian drug; RN given refers to parent cpd
fluazuronfluazuron : An N-acylurea that is urea in which one of the hydrogens has been replaced by a 3,6-difluorobenzoyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl group. It is used to control ticks in cattle.

fluazuron: a benzoyl phenylurea compound; ACATAK (tradename) is a pour-on tick development inhibitor containing fluazuron as its active ingredient
aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas
acaricide;
mite growth regulator
aloxistatinaloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.

aloxistatin: a membrane-permeable cysteine protease inhibitor
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide
anticoronaviral agent;
cathepsin B inhibitor
imirestatimirestat: structure given in first source
metrifudil
physodic acidphysodic acid: lichen constituentcarbonyl compound
rutecarpinerutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsulesbeta-carbolines
pifexolepifexole: structure
tryptamidetryptamide: structure given in first source
indocate
dexverapamildexverapamil : A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil.2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrileEC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor
tedisamiltedisamil : A member of the class of diazabicyclononanes that is (1s,5s)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane] in which the hydrogens at positions 3 and 7 are replaced by cyclopropylmethyl groups. It is a potassium channel blocker and an antiarrhythmic agent currently currently in development for the treatment of atrial fibrillation.
midesteinemidesteine: a cyclic thiolic neutrophil elastase inhibitor
esreboxetineesreboxetine: a norepinephrine reuptake inhibitoraromatic ether
kb 3022KB 3022: structure given in first source
torbafyllinetorbafylline: structure given in first source
mizolastinebenzimidazoles
cgs 9343bbenzimidazoles
azelnidipineazelnidipine: structure given in first sourceisopropyl ester
npk 1886NPK 1886: RN given from Toxline; RN not in Chemline 6/86dihydropyridine;
isopropyl ester;
methyl ester
pazufloxacinquinolines
repaglinidepiperidines
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
benzylanilinebenzylaniline: major metabolite of antazoline; RN given refers to parent cpd
trifluoperazine hydrochloridehydrochloride
siquilhydrochlorideanticoronaviral agent
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
estradiol-3-sulfate17beta-estradiol 3-sulfate : A steroid sulfate obtained by the formal condensation of sulfuric acid with the 3-hydroxy group of 17beta-estradiol.

estradiol-3-sulfate: RN given refers to (17beta)-isomer
17beta-hydroxy steroid;
steroid sulfate
mammalian metabolite
naphthalimidesNaphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS.
3'-cmp3'-CMP : A cytidine 3'-phosphate compound with a monophosphate group at the 3'-position.cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate
Escherichia coli metabolite;
metabolite;
mouse metabolite
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
xanthoxyletinxanthoxyletin: structure in first sourcecoumarinsmetabolite
salicylhydroxamic acidhydroxamic acid;
phenols
antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
4-phenylbenzoic acid4-phenylbenzoic acid: RN given refers to 4-carboxylic cpd
2-amino-7-naphthol2-amino-7-naphthol: mutagen metabolite of 2-aminonaphthalene; RN given refers to parent cpd
4-chlorobenzenesulfonamidesulfonamide
benzeneboronic acidboronic acids
9,10-anthraquinone 2-carboxylic acid9,10-anthraquinone 2-carboxylic acid: structure in first source
4-(diethylamino)benzaldehyde4-(diethylamino)benzaldehyde : A member of the class of benzaldehydes carrying a diethylamino substituent at position 4.aromatic amine;
benzaldehydes;
tertiary amino compound
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
4-amino-6-chloro-1,3-benzenedisulfonamide4-amino-6-chloro-1,3-benzenedisulfonamide: metabolite of hydrochlorothiazidesulfonamide
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
caramiphen
1,2,4-trimethoxybenzene1,2,4-trimethoxybenzene: a volatile organic compoundmethoxybenzenes
fluphenazine hydrochloridephenothiazinesanticoronaviral agent
iodophthaleiniodophthalein: RN given refers to parent cpd; structure
5-fluoroindolefluoroindole
2-benzothiazolesulfonamide2-benzothiazolesulfonamide: structure given in first sourcebenzothiazoles;
sulfonamide
orsellinic acido-orsellinic acid : A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group.

orsellinic acid: from the Sonoran desert endophytic fungus Chaetomium globosum; structure in first source
dihydroxybenzoic acid;
resorcinols
fungal metabolite;
marine metabolite;
metabolite
tangeretinpentamethoxyflavone : A methoxyflavone that is flavone substituted by a five methoxy groups.

tangeretin : A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8.

tangeretin: structure given in first source; from citrus plants; inhibits invasion of MO4 mouse cells into embryonic chick heart in vitro
pentamethoxyflavoneantineoplastic agent;
plant metabolite
5-hydroxyflavoneflavones
pyromeconic acidpyromeconic acid: from herb Dengzhanhua; structure
2-pyrone2-pyrone: structure in first source

pyranone : Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent.
2-pyranones
spiramidespiramide : An azaspiro compound that consists of 1,3,8-triazaspiro[4.5]decan-4-one having a phenyl group attached to N-1 and a 3-(4-fluorophenoxy)propyl attached to N-8. Selective 5-HT antagonist, which binds to 5-HT2 sites as potently as spiperone but has lower affinity for 5-HT2C receptors. Also a high affinity D2 receptor antagonist (Ki = 3 nM). Lacks the disruptive effect of spiperone on animal behaviour.

spiramide: RN given refers to parent cpd; structure
aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
serotonergic antagonist
n-phenylphthalimideN-phenylphthalimide: structure given in first source
seselinseselin: structure in first sourcecoumarinsmetabolite
delphinidindelphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart.

Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.
anthocyanidin chloride
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
beta-tetralone
azure bazure B : An organic chloride salt having 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining and is an active metabolite of methylene blue.

Azure B: RN given refers to chloride
1,2-dithiol-3-thione1,2-dithiol-3-thione: has antioxidant activity; structure given in first source1,2-dithiole
2-aminodiphenylamine2-aminodiphenylamine: structure in first source
dyclonine hydrochloridedyclonine hydrochloride : The hydrochloride salt of dyclonine.hydrochloridetopical anaesthetic
disulphane
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
clomipramine hydrochlorideclomipramine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias.hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug
amiloride hydrochlorideamiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride.hydratediuretic;
sodium channel blocker
prazosin hydrochloridehydrochloride
nitroscanate
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
sanguinarine chloride
lonazolaclonazolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-(4-chlorophenyl)-1-phenylpyrazol-4-yl group.

lonazolac: RN given refers to parent cpd
monocarboxylic acid;
monochlorobenzenes;
pyrazoles
antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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
talinololureas
piketoprofenpiketoprofen: RN given refers to parent cpdbenzophenones
pirlindolepirlindole: RN given refers to parent cpd; synonym pyrazidol refers to mono-HCl; structure in Negwer, 5th ed, #2812carbazoles
artemisinin(+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.organic peroxide;
sesquiterpene lactone
antimalarial;
plant metabolite
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
brinzolamidebrinzolamide: an antiglaucoma agentsulfonamide;
thienothiazine
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenonedrospirenone: a progestational compound with antimineralocorticoid and antiandrogenic activity; structure given in first source3-oxo-Delta(4) steroid;
steroid lactone
aldosterone antagonist;
contraceptive drug;
progestin
ryodipineryodipine: structure given in first source; an antianginal agent
artemetherartemether : An artemisinin derivative that is artemisinin in which the lactone has been converted to the corresponding lactol methyl ether. It is used in combination with lumefantrine as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.

Artemether: An artemisinin derivative that is used in the treatment of MALARIA.
artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid
antimalarial
epiroprimepiroprim: an analog of trimethoprim with improved antimicrobial and pharmacokinetic properties; structure given in first source
bithionol sulfoxidebithionol sulfoxide: RN given refers to parent cpd; structure
butinolinediarylmethane
metiprenalinemetiprenaline: RN given refers to parent cpd
4-aminopyrimidineaminopyrimidine
trithiocarbonic acidtrithiocarbonic acid: RN & Nl from 9th CI; cpd not in Chemline 8/83chalcocarbonic acid;
one-carbon compound;
thiocarbonyl compound
piloty's acidPiloty's acid: structure in first sourcesulfonamide
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-methoxybenzophenone4-methoxybenzophenone: structure in first source
4-benzoylbenzoic acid4-carboxybenzophenone: a photosensitizer agent
2,4-dimethoxybenzaldehyde
malvidin chloride
3-methylhistamine3-methylhistamine: RN given refers to parent cpd
2,4-disulfamyl-5-trifluoromethylaniline2,4-disulfamyl-5-trifluoromethylaniline: precursor of hydroflumethiazide
diumideorganic molecular entity
n-acetylhistamineN-acetylhistamine : A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function.acetamides;
imidazoles
human metabolite
2-chloro-1,4-benzoquinone2-chloro-1,4-benzoquinone: structure in first source
9-methyladenine9-methyladenine : Adenine substituted with a methyl group at position N-9.methyladeninemetabolite
4-bromobenzenesulfonamide4-bromobenzenesulfonamide: a metabolite of ebrotidine
2-Oxo-4-phenylbutyric acidbenzenes
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
1-hydroxy-2(1h)-pyridinone1-hydroxy-2(1H)-pyridinone: structure in first source
1,3-dimethyluracil1,3-dimethyluracil : A pyrimidone that is uracil with methyl group substituents at positions 1 and 3.pyrimidonemetabolite
biphenyl-2-carboxylic acidbiphenyl-2-carboxylic acid: structure in first source
fluorone blackfluorone Black: structure
n-4-tosylglycineN-4-tosylglycine: facilitates insulin release
stearyltrimethylammonium bromideoctadecyltrimethylammonium bromide: 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
etidinetidin: structure; geroprotective agent
moxaverineisoquinolines
leucyl-glycyl-glycineLeu-Gly-Gly : A tripeptide composed of one L-leucine and two glycine residues joined in sequence.

leucyl-glycyl-glycine: RN given refers to (L-Leu)-isomer
tripeptidemetabolite
2-amino-4-tert-butylphenol2-amino-4-tert-butylphenol: inhibits peroxidase-catalyzed oxidation of 3,3',5,5'-tetramethylbenzidine
9-chloroacridine9-chloroacridine: chromogenic reagent for detection of arylhydroxylamines & arylamines on paper & thin layer chromatograms; structure
D-serineD-alpha-amino acid;
serine;
serine zwitterion
Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist
copper histidineD-alpha-amino acid;
histidine;
polar amino acid zwitterion
Saccharomyces cerevisiae metabolite
D-tyrosineD-alpha-amino acid;
D-alpha-amino acid zwitterion;
tyrosine
Escherichia coli metabolite
aprofenaprofen: RN given refers to parent cpd; structure
docarpaminedocarpamine: a dopamine prodrug; RN given refers to (S)-isomer; structure given in first sourceorganic molecular entity
pafenololpafenolol: structure given in first source
aminoquinuride
enrofloxacinenrofloxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets.

Enrofloxacin: A fluoroquinolone antibacterial and antimycoplasma agent that is used in veterinary practice.
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone
antibacterial agent;
antimicrobial agent;
antineoplastic agent
vinburninealkaloid
rentiaprilrentiapril: RN given refers to cpd without isomeric designation
flosulide
atipamezole
libenzaprillibenzapril: structure given in first sourcedipeptide
romazarit
uk 68798aromatic ether;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
potassium channel blocker
pirodavirpirodavir: antipicornavirus agent; structure given in first source
dapoxetinenaphthalenes
hp 873iloperidone : A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia.

iloperidone: an atypical, negative symptom antipsychotic agent
1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
clobetasone butyrateorganic molecular entity
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
loxapine succinatesuccinate saltgeroprotector
guanfacine hydrochlorideacetamidesgeroprotector
labetalol hydrochloridesalicylamides
diflorasone diacetatediflorasone diacetate : The 17,21-diacetate derivative of diflorasone. It is used topically for its anti-inflammatory and antipruritic properties in the treatment of various skin disorders.11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid
anti-inflammatory drug;
antipruritic drug
r 75251
fenoxypropazinearomatic ether
maprotiline hydrochlorideanthracenes
trichlorosucrosesucralose : A disaccharide derivative consisting of 4-chloro-4-deoxy-alpha-D-galactopyranose and 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose units linked by a glycosidic bond.

trichlorosucrose: sweetness intensity roughly 600 times that of sucrose and is nonnutritive and noncaloric; largely unabsorbed in the gastrointestinal tract
disaccharide derivative;
organochlorine compound
environmental contaminant;
sweetening agent;
xenobiotic
D-valineD-valine : The D-enantiomer of valine.D-alpha-amino acid;
D-alpha-amino acid zwitterion;
valine
phenylalanineD-alpha-amino acid;
D-alpha-amino acid zwitterion;
phenylalanine
opipramol hydrochloride
16-bromoepiandrosterone16alpha-bromo-3beta-hydroxy-5alpha-androstan-17-one: a synthetic adrenal hormone that reduced the incidence of tuberculosis and other opportunistic infections in AIDS patients
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
simetridealkylbenzene
betamipronorganonitrogen compound;
organooxygen compound
clobuzaritbiphenyls;
organochlorine compound
mepindololmepindolol: 2-methyl deriv of pindolol; RN given refers to parent cpd; structureindoles
fpl 52791FPL 52791: also has anti-allergic properties; related to sodium cromoglycate; structure
bufuralolbufuralol: RN given refers to cpd without isomeric designation; structurebenzofurans
bay h 2049batracylin: structure given in first source
prifeloneprifelone: structure given in first sourcearomatic ketone
uroxatralhydrochloride
buparvaquonebuparvaquone: used in therapy of theileriasis; structure given in first source
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
chlormidazolechlormidazole: structurebenzimidazoles
lofemizolelofemizole: RN given refers to parent cpd; structure given in first source
carbazerancarbazeran: structure given in first source
alaceprildipeptide;
thioacetate ester
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
epanololepanolol: structure given in first sourceacetamides
epsiprantelepsiprantel: RN given refers to cpd without isomeric designation
thiocolchicosideglycoside
octylonium bromide
fenoverinephenothiazines
morniflumate(trifluoromethyl)benzenes
thioxolonetioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position.benzoxathioleantiseborrheic
ubenimexubenimex: growth inhibitor
2-aminoadenosinepurine nucleoside
sulfolithocholylglycinesulfoglycolithocholic acid : The 3-O-sulfo derivative of glycolithocholic acid.bile acid glycine conjugate;
steroid sulfate
3-octadecanamido-2-ethoxypropylphosphocholine3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source
1-deoxymannojirimycin
7-hydroxystaurosporine
epicatechin(-)-epicatechin : A catechin with (2R,3R)-configuration.catechin;
polyphenol
antioxidant
gallocatechol(-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.catechin;
flavan-3,3',4',5,5',7-hexol
antioxidant;
food component;
plant metabolite
6-hydroxyflavone6-hydroxyflavone: antioxidant; structure in first sourcehydroxyflavonoid
hesperetin3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
antineoplastic agent;
antioxidant;
plant metabolite
methotrimeprazinemethotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.

Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604)
phenothiazines;
tertiary amine
anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
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
magnololbiphenyls
honokiolbiphenyls
sesamin(+)-sesamin : A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity.benzodioxoles;
furofuran;
lignan
antineoplastic agent;
neuroprotective agent;
plant metabolite
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
hernandezinehernandezine: from Thalictrum glandulosissimum; structure given in first source; RN given refers to (1beta)-isomer; RN for cpd without isomeric designation not avail 3/91bisbenzylisoquinoline alkaloid;
isoquinolines
nobiletinnobiletin : A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively.methoxyflavoneantineoplastic agent;
plant metabolite
suksdorfinsuksdorfin: from the fruit of Lomatium sukdorfi; structure given in first source
artemotil
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
carbobenzoxyvalylphenylalanine aldehydeZ-Val-Phe-H : A dipeptide resulting from the formal condensation of the carboxy group of N-benzyloxycarbonyl-L-valine with the amino group of L-phenylalanine aldehyde. It is a potent cell-permeable inhibitor of calpain I and II, and is also a gamma-secretase inhibitor.aldehyde;
carbamate ester;
dipeptide
antileishmanial agent;
apoptosis inhibitor;
EC 3.4.22.52 (calpain-1) inhibitor;
EC 3.4.22.53 (calpain-2) inhibitor;
EC 3.4.23.46 (memapsin 2) 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
grepafloxacingrepafloxacin: structure in first sourcefluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
3-deazaaristeromycin3-deazaaristeromycin: antagonist of S-adenosylhomocysteinase
alkanninalkannin: a naphthazarin used to promote wound healing, from the plant Alkanna tinctoria; RN given refers to (S)-isomer; structurehydroxy-1,4-naphthoquinone
puupehenone
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid: structure given in first source
coumarin 153coumarin 153: structure in first source7-aminocoumarinsfluorochrome
paceinorcein : A variable mixture of several compounds isolated from lichens, the eight most abundant being alpha-aminoorcein, alpha-hydroxyorcein, beta-aminoorcein, gamma-aminoorcein, beta-hydroxyorcein, gamma-hydroxyorcein, beta-aminoorceimine and beta-aminoorceimine (all are phenoxazine-based). It is used for the demonstration of elastic fibres as well as to stain the rough endoplasmic reticulum of hepatitis B infected liver cells.

pacein : A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.

PAcein: structure
berberrubineberberrubine: RN refers to chloride salt; a protoberberine alkaloid antitumor agent which exhibits topoisomerase II poison activity as well as catalytic inhibition activity; structure in first source
methyl fluorone blackmethyl fluorone black: structure
9-hydroxyphenylfluoron
juncusoljuncusol: cytotoxic dihydro phenanthrene from Estuarian marsh plant Juncus roemerianus; structure
2-acetylamino-3-chloro-1,4-naphthoquinone2-acetylamino-3-chloro-1,4-naphthoquinone: structure in first source
1,10-phenanthroline-5,6-dione1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source
benzoylpropionic acid4-oxo-4-phenylbutyric acid : A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4.

benzoylpropionic acid: structure in first source
4-oxo monocarboxylic acidhapten
methanesulfonamide
2-aminobenzenesulfonamidebenzenes;
sulfonamide
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
neplanocin aneplanocin A: neplanocins are antitumor antibiotics & carbocyclic analogs of purine nucleosides from Ampullarilla regularis A11079; see also neplanocin B, neplanocin C, neplanocin D & neplanocin F; structure in first source; a potent inhibitor of S-adenosylhomocysteine hydrolase
tetrandrinetetrandrine: a bisbenzylisoquinoline that exhibits antifibrogenic activitybisbenzylisoquinoline alkaloid;
isoquinolines
3-deazaneplanocin3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist
tosyllysine chloromethyl ketone
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
sennoside Asennoside A : A member of the class of sennosides that is rel-(9R,9'R)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. The exact stereochemisty at positions 9 and 9' is not known - it may be R,R (as shown) or S,S.oxo dicarboxylic acid;
sennosides
beta-amyrinbeta-amyrin : A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants.

beta-amyrin: alpha-amyrin is also available; a 5 ring triterpene derived from oleanane that differs from alpha-amyrin in having the 29-carbon at the 20 position; RN given refers to (3 beta)-isomer
pentacyclic triterpenoid;
secondary alcohol
Aspergillus metabolite;
plant metabolite
lobaric acidlobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first sourcecarbonyl compound
(-)-catechin(-)-catechin : The (-)-enantiomer of catechin.catechinmetabolite
pinobanksinpinobanksin : A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7.

pinobanksin: a flavonoid from propolis; RN refers to (2R-trans)-isomer
secondary alpha-hydroxy ketone;
trihydroxyflavanone
antimutagen;
antioxidant;
metabolite
3,5-di-tert-butyl-4-hydroxybenzaldehyde3,5-di-tert-butyl-4-hydroxybenzaldehyde: structure in first sourcehydroxybenzaldehyde
2-chloranil
fascaplysinefascaplysine: from tropic sea sponges
hederagenindihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
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
5-(n-methyl-n-isobutyl)amiloride5-(N-methyl-N-isobutyl)amiloride: inhibitor of the Na+-H+ antiporter
2,6-dimethylphenylphthalimide2,6-dimethylphenylphthalimide: enhances alpha-tumor necrosis factor production; structure in first source
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
amperozideamperozide : A member of the class of ureas that is urea in which three of the four hydrogens are replaced by ethyl and 4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl groups. An atypical antipsychotic which was in clinical development for the treatment of schizophrenia and substance-related disorders. It is a potent 5-HT2A antagonist and used in veterinary medicine because of its sedative effect on pigs.diarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas
anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
eprazinone hydrochlorideeprazinone hydrochloride : A hydrochloride obtained by combining eprazinone with two molar equivalents of hydrochloric acid.hydrochloridemucolytic
calpeptinamino acid amide
ergocornineergocornine : Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.

ergocornine: a component of ergotoxine; minor descriptor (75-86); on-line & INDEX MEDICUS search ERGOLINES (75-86); RN given refers to ((5'alpha)-isomer)
ergot alkaloid
fangchinolinearomatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle
anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
5-benzylhydantoin5-benzylhydantoin: structure given in first source
corilagincorilagin : An ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core.

corilagin: isolated from Geranii herba
ellagitannin;
gallate ester
antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug
glycyl-histidyl-lysineGly-His-Lys : A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence.

glycyl-histidyl-lysine: found in human plasma; promotes proliferation of hepatoma cells, lymphocytes & mycoplsma; maintains viability of hepatocytes, eosinophils and macrophages; inhibits growth of glial cells; RN given refers to (L)-isomer
tripeptidechelator;
hepatoprotective agent;
metabolite;
vulnerary
9-(2',3'-dihydroxycyclopentan-1'-yl)adenine9-(2',3'-dihydroxycyclopentan-1'-yl)adenine: inhibitor of S-adenosylhomocysteine hydrolase; structure given in first source
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
stictic acidstictic acid: antioxidant from lichen, Usnea articulata; structure in first sourcearomatic ether
thiazole-4-carboxamide adenine dinucleotidethiazole-4-carboxamide adenine dinucleotide: structure given in first source
galleingallein : A xanthene dye that is fluoran carrying four hydroxy substituents at positions 3', 4', 5' and 6'.

gallein: do not confuse with gallin; structure
2-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye
fluorochrome;
G-protein-coupled receptor antagonist;
histological dye
Pyrrolidine-1-carbonitrilepyrrolidines
1-aminoisoquinoline
pramoxine hydrochloridearomatic ether
8-hydroxy-2-quinolinecarboxylic acidquinolines
perfluorooctane sulfonic acidperfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.perfluoroalkanesulfonic acidantilipemic drug;
persistent organic pollutant
1,2,3,4,5,6-hexabromocyclohexanebromoalkane;
bromohydrocarbon
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2,5-di-tert-butyl-4-hydroxyanisole2,5-di-tert-butyl-4-hydroxyanisole: structure given in first sourcemethoxybenzenes;
phenols
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
N-Benzylphthalimideisoindoles
methyl gentisatemethyl gentisate: skin lightening agent; structure in first sourcebenzoate ester;
phenols
iodophthalein, disodium salt
iodophthalein
2-phenoxybenzoic acid2-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is ortho to the carboxy group.

phenoxybenzoic acid : An aromatic ether that is diphenyl ether in which one of the hydrogens is replaced by a carboxy group.
phenoxybenzoic acid
4-aminopyrazolo(3,4-d)pyrimidine4-aminopyrazolo(3,4-d)pyrimidine: adenine analog which suppresses growth of E coli & Bacillus cereus; inhibits cell growth & purine biosynthesis in rat hepatoma
4-hydroxyindolehydroxyindoles : Any member of the class of indoles carrying at least one hydroxy group.hydroxyindoles;
phenols
2,2'-bisphenol f2,2'-bisphenol F: contact allergen; structure given in first sourcediarylmethane
p-Aminobenzamidine dihydrochlorideorganic molecular entity
3-phenylpropyl isothiocyanate3-phenylpropyl isothiocyanate: structure given in first sourcebenzenes
n-desmethylflunitrazepam
2-(2-aminoethyl)pyridine2-(2-aminoethyl)pyridine: histamine H1 receptor agonist inducing cross-tolerance to histamine; RN given refers to parent cpd; structureaminoalkylpyridine;
primary amine
histamine agonist;
metabolite
2,3-bis(benzoyloxy)tartaric acid2,3-bis(benzoyloxy)tartaric acid: SNC-86 refers to (-)dibenzoyl-L-tartaric acid salt
1-methoxyphenazine1-methoxyphenazine: exogenous electron carrier for cytochemical staining of NAD(P)-dependent dehydrogenases; RN given refers to parent cpd
5-methoxy-methylindoleacetic acid5-methoxy-methylindoleacetic acid: structure given in first sourceindole-3-acetic acids
2-chlorodiazepam
terephthalamidebenzenedicarboxamide
4-methoxymethylpyridoxine4-methoxymethylpyridoxine: RN given refers to parent cpdpyridines
4-methoxybenzohydrazide4-methoxybenzohydrazide: structure in first source
3,5-di-tert-butyl-1,2-benzoquinone
methyl alpha-d-galactopyranosidemethyl alpha-D-galactoside : An alpha-D-galactoside having a methyl substituent at the anomeric position.

methyl-galactopyranoside: structure in first source
alpha-D-galactoside;
methyl D-galactoside;
monosaccharide derivative
4-Methoxybenzamidebenzamides
6-methoxy-2-naphthalaldehyde6-methoxy-2-naphthalaldehyde: used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source
prolinalpyrrolidines
ethyl protocatechuateethyl 3,4-dihydroxybenzoate : An ethyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with ethanol. It is the anti-oxidative component of peanut seed testa.

ethyl protocatechuate: structure
catechols;
ethyl ester
antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite
3-acetylcoumarin3-acetylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group.

3-acetylcoumarin: structure given in first source
coumarins
4'-methoxyflavone4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first sourceether;
flavonoids
2-(4-Morpholinyl)benzothiazolebenzothiazoles
1-benzylimidazole1-benzylimidazole: inhibits human thromboxane synthetase
eletriptaneletriptan : An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group.

eletriptan: 5-HT(1B/1D) receptor agonist; structure in first source
indoles;
N-alkylpyrrolidine;
sulfone
non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
tamifluphosphate salt
5-hydroxymethyluracilprimary alcohol;
pyrimidone
human metabolite
truxillic acidtruxillic acid: RN given refers to cpd with unspecified isomeric designation; structure
3,7-diazanonane-1,9-diamine2,3,2-tetramine: potent copruretic agent; RN given refers to parent cpdpolyazaalkane;
tetramine
7-aminonitrazepam7-aminonitrazepam: urinary metabolite of nitrazepambenzodiazepine
1-(3-aminopropyl)imidazoleimidazoles
1-methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
2-aminopyrazinepyrazines
trifluoromethylsulfonamidetrifluoromethylsulfonamide: RN given refers to parent
glucose(1->3)-alpha-D-glucan : An alpha-D-glucan in which the glucose units are connected by (1->3) linkages.

(1->6)-alpha-D-glucan : An alpha-D-glucan in which the glucose units are connected by (1->6) linkages.

alpha-D-glucose : D-Glucopyranose having alpha-configuration at the anomeric centre.
D-glucopyranosemouse metabolite
6-chloronicotinic acidaromatic carboxylic acid;
pyridines
aminoquinuride dihydrochloride
4-bromophenylboric acid
5,7,4'-trimethylapigenin5,7,4'-trimethylapigenin: a flavonoid from the East Asian medicinal plant Orthosiphon spicatus; prevents oxidative inactivation of 15-lipoxygenase; structure given in first sourceether;
flavonoids
lotrafiban
benzamidine hydrochloride
1-(10h-phenothiazin-2-yl)ethanone1-(10H-phenothiazin-2-yl)ethanone: structure in first sourcephenothiazines
benzylphosphonic acidbenzenes
1-phenylimidazole1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation
leucyl-alanineLeu-Ala : A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage.dipeptidemetabolite
gamma-glutamine-4-nitroanilidegamma-glutamine-4-nitroanilide: substrate for glutaminase B.; RN given refers to (L)-isomer
bexarotenebenzoic acids;
naphthalenes;
retinoid
antineoplastic agent
s20098acetamides
flunisolideflunisolide: flunisolide HFA is a formulation of flunisolide using hydrofluoroalkane (HFA) as propellant in place of chlorofluorocarbon (CFC) ones11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone
anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
sulfamidesulfamide : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to two amino groups and by double bonds to two oxygen atoms.sulfamides
pyritinol hydrochloridemethylpyridines
8-(4-tolylsulfonylamino)quinoline8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first sourcesulfonamide
4-phenyl-1,2,3,6-tetrahydropyridine4-phenyl-1,2,3,6-tetrahydropyridine: RN given refers to parent cpd
beta-naphthyl phosphate2-naphthyl dihydrogen phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase.

beta-naphthyl phosphate: substrate for bovine kidney acid phosphatase
aryl phosphatechromogenic compound
n,n'-2-phenylenedimaleimideN,N'-2-phenylenedimaleimide: RN given refers to 2-phenylene-cpd
eriocitrineriocitrin : A disaccharide derivative that consists of eriodictyol substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

eriocitrin: structure in first source
3'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone
antioxidant
alanylprolinealanylproline: RN given refers to all (L)-isomerdipeptide;
dipeptide zwitterion
metabolite
orphenadrine citrateorphenadrine citrate : A citrate salt which comprises equimolar amounts of orphenadrine and citric acid.citrate saltH1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
tetramethrintetramethrin: structurecyclopropanecarboxylate ester;
maleimides;
phthalimide insecticide
pyrethroid ester insecticide
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
clarithromycinclarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.

Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.
macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
3-demethylthiocolchicine3-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85
1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylenediarylmethane
5-amino-1,3,4-thiadiazole-2-sulfonamide5-amino-1,3,4-thiadiazole-2-sulfonamide: structure in first source
4-aminoquinazoline4-aminoquinazoline: structure in first source
4-(hydroxyphenyl)acetamide4-(hydroxyphenyl)acetamide: structure given in first source; an impurity found in the HPLC assay for atenolol; do not confuse with acetaminophenacetamides
5-chloroindole5-chloroindole: a positive allosteric modulator of the 5-HT3 receptor
5-Chloro-1H-indole-2,3-dioneindolesanticoronaviral agent
coenzyme aadenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite
2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione
1-methyl-3-hydroxypyridine-2-one
Trp-TrpTrp-Trp : A dipeptide formed from two L-tryptophan residues.

tryptophyltryptophan: an antigelation agent
dipeptideMycoplasma genitalium metabolite
5-iodoisatin5-iodoisatin: structure in first sourceindolesanticoronaviral agent
isoamyl 4-n,n-dimethylaminobenzoateisoamyl 4-N,N-dimethylaminobenzoate: combined with PABA in Spectraban 15 lotion & with indomethacin in Spectraban 5.6 lotionbenzoate ester
nicotine(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
carbetapentane citratecarbonyl compound
hexyl nicotinate
2,2-dimethoxy-2-phenylacetophenone
moexiprilpeptide
sennoside Bsennoside B : A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'.oxo dicarboxylic acid;
sennosides
17-alpha-hydroxypregnenolone17-alpha-Hydroxypregnenolone: A 21-carbon steroid that is converted from PREGNENOLONE by STEROID 17-ALPHA-HYDROXYLASE. It is an intermediate in the delta-5 pathway of biosynthesis of GONADAL STEROID HORMONES and the adrenal CORTICOSTEROIDS.

17alpha-hydroxypregnenolone : A hydroxypregnenolone carrying an alpha-hydroxy group at position 17.
17alpha-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone
human metabolite;
mouse metabolite
7-ketocholesterol7-ketocholesterol : A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7.

7-ketocholesterol: inhibits uptake of cholesterol in rabbit aorta
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
7-oxo steroid;
cholestanoid
neuroprotective agent
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
gliquidonegliquidone: structure; RN given refers to parent cpdisoquinolines
diflucortolone valeratediflucortolone valerate: Rn given refers to (6alpha,11beta,16alpha)-isomercorticosteroid hormone
dimethenamid2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide : An organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom.

dimethenamid : A racemate composed of equimolar amounts of (R)- and (S)-dimethenamid. A herbicide, it is applied to the soil for the control of various broad-leaved weeds and grasses. Only the S enantiomer (generally known as dimethenamid-P) is active.

dimethenamid: structure in first source
aromatic amide;
ether;
organochlorine compound;
thiophenes
sk&f 95282zolantidine: structure given in first sourcepiperidines
difethialone
tebufenozidetebufenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars.

tebufenozide: structure given in first source
carbohydrazideecdysone agonist;
environmental contaminant;
xenobiotic
delta-tocopheroltocopherol;
vitamin E
food antioxidant;
plant metabolite
sarsasapogeninsapogenin
1-methylhistidine1-methylhistidine : A methylhistidine in which the methyl group is located at N-1.

1-methylhistidine: found in muscle proteins; RN given refers to (L)-isomer

N(tele)-methyl-L-histidine : A L-histidine derivative in which the methyl group is at N(tele)-position.
L-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion
human metabolite
riboflavin tetrabutyrateriboflavin tetrabutyrate: RN given refers to unlabeled parent cpdflavin
thioproperazine mesylatephenothiazines
glycyltryptophanGly-Trp : A dipeptide formed from glycine and L-tryptophan residues.

glycyltryptophan: RN given refers to (L)-isomer
dipeptidemetabolite
adenosine 5'-methylenediphosphatenucleoside diphosphate analogue
n(6)-benzyladenosineN(6)-benzyladenosine: RN given refers to parent cpd
D-dopaD-dopa : The D-enantiomer of dopa.amino acid zwitterion;
D-tyrosine derivative;
dopa
methylumbelliferyl-beta-d-xyloside
7-amino-4-methylcoumarin7-amino-4-methylcoumarin: RN given refers to parent cpd7-aminocoumarinsfluorochrome
ro 20-18157-aminoflunitrazepam: flunitrazepam metabolite; structure given in first sourcebenzodiazepine
lekoptin(S)-verapamil : A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
tarenflurbiltarenflurbil: R-enantiomer of flurbiprofen but not a COX inhibitor; modulates NF-kB, gamma-secretase, amyloid beta-protein;flurbiprofen
mor-14N-methyldeoxynojirimycin: glucosidase inhibitorhydroxypiperidine;
piperidine alkaloid;
tertiary amino compound
anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
zofenoprilzofenopril : A proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-3-(benzoylsulfanyl)-2-methylpropanoyl group. A prodrug for zofenoprilat.

zofenopril: structure given in first source; SQ 26900 refers to K salt & SQ 26991 to Ca salt
aryl sulfide;
L-proline derivative;
N-acyl-L-amino acid;
thioester
anticonvulsant;
apoptosis inhibitor;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug;
vasodilator agent
nsc-87877NSC-87877: potent Shp2 (nonreceptor protein tyrosine phosphatase) inhibitor; structure in first source
mci 9038peptide
lopinaviramphetamines;
dicarboxylic acid diamide
anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
gamma-tocopherolgamma-tocopherol : A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils.

gamma-Tocopherol: A natural tocopherol with less antioxidant activity than ALPHA-TOCOPHEROL. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in BETA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites.
tocopherol;
vitamin E
algal metabolite;
food antioxidant;
plant metabolite
brexanolonebrexanolone : A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women.

brexanolone: a mixture of allopregnanolone and sulfobutylether‐beta‐cyclodextrin for treatment of postpartum depression
3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative
uvaoluvaol: from Vauquelinia corymbosa (Rosaceae)triterpenoidmetabolite
cholanic acid5beta-cholanic acids;
cholanic acid
cycloadiphenine hydrochloride
glycyltyrosineGly-Tyr : A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage.dipeptidemetabolite
glycylleucineGly-Leu : A dipeptide composed of glycine and L-leucine joined by a peptide linkage.dipeptide;
dipeptide zwitterion
metabolite
dehydropregnenolone acetatedehydropregnenolone acetate: structuresteroid ester
3,5-diiodothyronine, (l)-isomerphenylalanine derivative
androstan-3-ol3-hydroxy steroidandrogen
histidine methyl esterhistidine methyl ester : An alpha-amino acid ester that is the methyl ester of histidine.

histidine methyl ester: RN given refers to (L)-isomer; structure given in first source
histidine derivative
dextromoramide tartrate
alanyltyrosineAla-Tyr : A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage.

alanyltyrosine: tyrosine source; RN given refers to (L)-isomer
dipeptidemetabolite
glycyl-l-phenylalanineGly-Phe : A dipeptide formed from glycine and L-phenylalanine residues.

glycylphenylalanine: RN given refers to (DL)-isomer
dipeptide;
dipeptide zwitterion
human metabolite;
metabolite
digoxigenin-bis(digitoxoside)cardenolide glycoside
catalposide
prednisolone tebutateprednisolone tebutate: structure in Negwer, 5th ed, #5613corticosteroid hormone
glycylsarcosineglycylsarcosine : A dipeptide obtained by formal condensation of the carboxy group of glycine with the amino group of sarcosine.dipeptide;
dipeptide zwitterion
(6ar-trans)-isomer of tetrahydrocannabivarin 9
carbenicillin indanylcarbenicillin indanyl: acid stable indanyl ester of carbenicillin for oral use; same side-effects as carbenicillin; minor descriptor (75-86); on line & INDEX MEDICUS search CARBENICILLIN/AA (75-86); RN given refers to (mono-Na salt(2S-(2alpha,5alpha,6beta))-isomer)penicillin
levcromakalim1-benzopyran
aminozolamideaminozolamide: used in therapy of ocular hypertension
4-methylumbelliferyl-galactopyranoside4-methylumbelliferyl beta-D-galactoside : A beta-D-galactoside having a 4-methylumbelliferyl substituent at the anomeric position.

4-methylumbelliferyl-galactopyranoside: fluorogenic substrate; RN given refers to (beta-D)-isomer
beta-D-galactoside;
coumarins;
monosaccharide derivative
chromogenic compound
trimethylphenylammonium iodide
11-ketoprogesterone11-ketoprogesterone: structurecorticosteroid hormone
methyl beta-galactosidemethyl beta-D-galactoside : A beta-D-galactopyranoside having a methyl substituent at the anomeric position.

methyl beta-galactoside: RN given refers to (beta-D)-isomer

methyl galactoside : A methyl glycoside in which the H of the OH group on C-1 of galactose is replaced by a methyl group.
beta-D-galactoside;
methyl D-galactoside;
monosaccharide derivative
coumarin 7coumarin 7: structure in first source
azomethine hazomethine H: increases Cu-Zn superoxide dismutase activity
alpha-tocopherol phosphatealpha-tocopherol phosphate: RN given refers to (2R*(4R*,8R*))-(+-)-isomer
5-Methoxyflavone5-methoxyflavone: DNA polymerase-beta inhibitor and neuroprotective agent against beta-amyloid toxicity; structure in first sourceether;
flavonoids
diprotin apeptide
6-hydroxyethoxzolamide6-hydroxyethoxzolamide: structure given in first source
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
cb 1837CB 1837: RN given refers to parent cpd; structure
2-chloroadenine6-amino-2-chloropurine: RN & structure given in first source
osajinosajin: from Maclura pomiferaisoflavanones
methyl methanethiosulfinatemethyl methanethiosulfinate: structure in first source; a metabolite of S-methyl cysteine sulfoxidesulfur oxoacid derivative
9,10-phenanthrenequinone monoxime9,10-phenanthrenequinone monoxime: selective sensitive reagent for iron in environmental samples
anisoin
hydrobenzoinhydrobenzoin: structure in first sourceethanediol
mmv665852MMV665852: an antischistosomal agent
4-methyl-N-(phenylmethyl)benzenesulfonamidesulfonamide
o(6)-n-butylguanine
sym 2081
1,3,4,10-Tetrahydro-9(2H)-acridinoneacridines
8-mercaptoquinoline8-mercaptoquinoline: structure given in first source
imidazoleacetic acidimidazol-4-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group.

imidazol-5-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.

imidazoleacetic acid: RN given refers to cpd without specific location of acetic acid attachment identified; structure
imidazoles;
monocarboxylic acid
metabolite;
mouse metabolite
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively.pentahydroxyflavone
6,7-dichloroquinoline-5,8-dione6,7-dichloro-5,8-quinolinedione: structure in first source
6-amino-7-chloro-5,8-dioxoquinoline6-amino-7-chloro-5,8-dioxoquinoline: quinone structure important in this cpd; structure
nitrophenylgalactosides2-nitrophenyl beta-D-galactoside : A beta-D-galactoside having a 2-nitrophenyl substituent at the anomeric position.

Nitrophenylgalactosides: Includes ortho-, meta-, and para-nitrophenylgalactosides.
beta-D-galactoside;
C-nitro compound
chromogenic compound
alanylphenylalaninealanylphenylalanine: RN given refers to (L-Ala-L-PheAla)-isomerdipeptidemetabolite
8-aminoadenosine
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol3,3',5,5'-tetrachlorobiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'.dichlorobenzene;
hydroxybiphenyls
prolyl-glycyl-glycineprolyl-glycyl-glycine: structure given in first sourceoligopeptide
tryptophylglycineTrp-Gly : A dipeptide formed from L-tryptophan and glycine residues.dipeptidemetabolite
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
3,5,7,3',4'-pentamethoxyflavone3,5,7,3',4'-pentamethoxyflavone: causes relaxation of cavernosum; structure in first source
glycylaspartic acidglycylaspartic acid: RN given refers to (L)-isomerdipeptidemetabolite
hexylglutathioneS-hexylglutathione : An S-substituted glutathione that is glutathione in which the hydrogen of the thiol has been replaced by a hexyl group (PDB entry: 1PN9).S-substituted glutathione
s-(4-bromobenzyl)glutathioneS-(4-bromobenzyl)glutathione: inhibits glyoxalase I; cleaved in extracellular medium by gamma-glutamyl transferase
adenosine-5'-carboxylic acidpurine nucleoside
hydroxybenzindazolehydroxybenzindazole: structure
adenosine 5'-carboxamideadenosine 5'-carboxamide: structure
1-(aminoethyl)phosphonic acid1-(aminoethyl)phosphonic acid: structure given in first sourcephosphonoacetic acid
1-amino-2-phenylethylphosphonic acid1-amino-2-phenylethylphosphonic acid: RN given refers to cpd without isomeric designation: structure given in first source
6-methoxyflavanone6-methoxyflavanone: structure in first source
5-benzyloxytryptophan
isopentaquine
1,2,3,4-tetrahydro-1-(phenylmethyl)isoquinoline1,2,3,4-tetrahydro-1-(phenylmethyl)isoquinoline: structure given in first sourcebenzyltetrahydroisoquinoline
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
5'-n-methylcarboxamideadenosine5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer
4-hydroxyantipyrine4-hydroxyantipyrine: metabolite of antipyrine; structure in third sourcepyrazoles;
ring assembly
n-glycylglutamic acidGly-Glu : A dipeptide formed from glycyl and L-glutamic acid residues.

N-glycylglutamic acid: RN given refers to (L)-isomer
dipeptidemetabolite
Lup-20(29)-en-28-al, 3beta-hydroxy-triterpenoid
zpckZPCK: alkylates histidine residue at active center of bovine chymotrypsin
2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source
4-methoxydalbergione4-methoxydalbergione: causes dermititis; RN given refers to cpd without isomeric designation
n-benzyloxycarbonylphenylalanyl-valine
1,2,3,4-tetrahydro-1-phenylisoquinoline1,2,3,4-tetrahydro-1-phenylisoquinoline: structure in first source
terphenyllinterphenyllin : A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6' and hydroxy groups at positions 2', 4 and 4''. It has been isolated from Aspergillus taichungensis.

terphenyllin: novel p-terphenyl metabolite from Aspergillus candidus
dimethoxybenzene;
para-terphenyl;
phenols
Aspergillus metabolite;
mycotoxin
diphyllindiphyllin: extract of Cleistanthus collinus (Roxb), a highly poisonous plant; do not confuse with diphyllin or diphylline which is the main heading AMINOPHYLLINE; do not confuse with the theophylline derivative DYPHYLLINElignan
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
hepsulfamhepsulfam: structure given in first source
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
7-amino-4-trifluoromethylcoumarincoumarin 151: structure in first source7-aminocoumarinsfluorochrome
s-adenosyl-3-thio-1,8-diaminooctaneS-adenosyl-3-thio-1,8-diaminooctane: structure given in first source
effusoleffusol: from the pith of Juncus effusus L.; structure in first source
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one
histidylglycineHis-Gly : A dipeptide formed from L-histidine and glycine residues.

histidylglycine: RN given refers to all (L)-isomer
dipeptidemetabolite
taurineamidetaurineamide: structure in first source
moxifloxacin hydrochloridemoxifloxacin hydrochloride : A hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride.hydrochlorideantibacterial drug
lobeline(-)-lobeline : An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position.aromatic ketone;
piperidine alkaloid;
tertiary amine
nicotinic acetylcholine receptor agonist
2 alpha-methyl-9 alpha-fluorocortisol
erythrodioldiol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol
plant metabolite
tetrahydrodeoxycorticosteronetetrahydrodeoxycorticosterone: RN given refers to (3alpha,5beta)-isomer21-hydroxy steroid
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one3alpha,17alpha-dihydroxy-5beta-pregnan-20-one : A 17alpha-hydroxy steroid that is 3alpha-hydroxy-5beta-pregnan-20-one carrying an additional hydroxy group at position 17alpha.17alpha-hydroxy steroid;
20-oxo steroid;
3alpha-hydroxy steroid;
C21-steroid;
corticosteroid hormone
human urinary metabolite
19-norandrostenolone 17-cyclohexylpropionate19-norandrostenolone 17-cyclohexylpropionate: RN given refers to (17beta)-isomersteroid ester
16-hydroxydehydroepiandrosterone16-hydroxydehydroepiandrosterone: RN refers to (3beta,16alpha)-isomer16alpha-hydroxy steroid;
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid;
secondary alpha-hydroxy ketone
human metabolite;
mouse metabolite
bolasteronebolasterone: 7alpha, 17alpha-dimethyl-testosterone; anabolic (Merck Index, 13th ed)3-hydroxy steroidandrogen
n-methyladenosineN-methyladenosine: is a inhibitor of cell differentiation

N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.
methyladenosine
Estriol tripropionatesteroid ester
hexylcaine hydrochloride
alexidine dihydrchloride
4-hydroxycarbazole4-hydroxycarbazole: structure in first source
fulvestrantfulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.

Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide
antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
hydrogen sulfitesulfur oxoanionhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
mizoribineimidazolesanticoronaviral agent
desethylamiodaronedesethylamiodarone: metabolite of amiodarone; structure given in first sourcearomatic ketone
arginyl-glycyl-aspartic acidarginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition systemoligopeptide
imipenem, anhydrousimipenem : A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup.

Imipenem: Semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with CILASTATIN, a renal dipeptidase inhibitor.
beta-lactam antibiotic allergen;
carbapenems;
zwitterion
antibacterial drug
alphaxalonealphaxalone: RN given refers to (3alpha,5alpha)-isomer; structurecorticosteroid hormone
sr141716amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles
anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
bosentan anhydrousBosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS.primary alcohol;
pyrimidines;
sulfonamide
antihypertensive agent;
endothelin receptor antagonist
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
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
norverapamil2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile : A secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.

norverapamil : A racemate comprising equimolar amounts of (R)- and (S)-norverapamil. The major active metabolite of verapamil.

norverapamil: N-demethylated active metabolite of verapamil; RN given refers to parent cpd without isomeric designation; structure in second source
aromatic ether;
nitrile;
polyether;
secondary amino compound
fluo-3Fluo-3: fluorescent Ca(2+) indicator; permits continuous monitoring of Ca without interference with use of UV-sensitive caged compoundsxanthene dyefluorochrome
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylatemethyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate: structure given in first sourcebeta-carbolines
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
methoxyfenozidemethoxyfenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by 3-methoxy-2-methylbenzoyl, 3,5-dimethylbenzoyl, and tert-butyl groups respectively.

methoxyfenozide: structure in first source
carbohydrazide;
monomethoxybenzene
environmental contaminant;
insecticide;
xenobiotic
cyanatescyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.

Cyanates: Organic salts of cyanic acid containing the -OCN radical.

isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).
4-hydroxy-2',4',6'-trichlorobiphenyl4-hydroxy-2',4',6'-trichlorobiphenyl: do not confuse with the tetrachlorinated compound, also known as 4-OH-TCB (see 4-OH-TCB (tetra))biphenyls;
trichlorobenzene
vinpocetine
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
3,3'-diiodothyronine3,3'-diiodothyronine: RN given refers to unlabeled cpd without isomeric designation3,3'-diiodothyronine;
amino acid zwitterion
human metabolite
7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one: structure given in first source; RP 68651 is the inactive (3aS,7aS)-isomer; substance P antagonist
beta-carboline-3-carboxylic acid methyl esterbeta-carboline-3-carboxylic acid methyl ester: structure given in first sourcebeta-carbolines
sivelestatsivelestat: inhibitor of neutrophil elastase; structure given in first sourceN-acylglycine;
pivalate ester
dihydroergocristinedihydroergocristine : Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease.

Dihydroergocristine: A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule.
ergot alkaloidadrenergic antagonist;
vasodilator agent
racecadotrilracecadotril: parenterally active enkephalinase inhibitorN-acyl-amino acid
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
perindoprilperindopril : An alpha-amino acid ester that is the ethyl ester of N-{(2S)-1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norvaline

Perindopril: An angiotensin-converting enzyme inhibitor. It is used in patients with hypertension and heart failure.
alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
dihydrokainatedicarboxylic acid
sr 95531methoxybenzenes
epicatechin gallate(-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.

epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea
catechin;
gallate ester;
polyphenol
EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
bretazenilbretazenil: RN given for (S) isomer
5-hydroxypropafenonephenols
deguelindeguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers.

deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite
fk 888FK 888: structure given in first source; a potent NK(1) receptor antagonistpeptide
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
daidzindaidzein 7-O-beta-D-glucoside : A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic).

daidzin: a potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative
plant metabolite
dihydrocapsaicincapsaicinoid
n(g)-iminoethylornithineL-alpha-amino acid
quinaprilatquinaprilat : A dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril.

quinaprilat: metabolite of quinapril
dicarboxylic acid;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
ramosetron hydrochlorideindoles
Zearalanonemacrolide;
resorcinols
lasolvan
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indoleindoles
sepimostate mesilatesepimostate mesilate: used in therapy of pancreatitis; structure given in first source
nimbinnimbin : A limonoid found in Azadirachta indica.

nimbin: from Neem seed (Azadirachta indica)
acetate ester;
cyclic terpene ketone;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid
pesticide;
plant metabolite
tesmilifenediarylmethane
benzamilguanidines;
pyrazines
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
carboxyamido-triazolecarboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201
tadalafilbenzodioxoles;
pyrazinopyridoindole
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
nandrolone furylpropionatesteroid ester
neoeriocitrinneoeriocitrin : A flavanone glycoside that is eriodictyol substituted by a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.

neoeriocitrin: protects against autophagy-inhibiting effects of okadaic acid; isolated from Drynariae rhizome; structure in first source
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
neohesperidoside;
trihydroxyflavanone
plant metabolite
10-hydroxycarbamazepine10,11-dihydro-10-hydroxycarbamazepine: main metabolite of oxcarbazepine; structure given in first source

licarbazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine, reduced across the C-10,11 positions and carrying a carbamoyl substituent at the azepine nitrogen and a hydroxy function at C-10. A voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects, it is related to oxcarbazepine and is an active metabolite of oxcarbazepine.
carboxamide;
dibenzoazepine;
ureas
anticonvulsant;
drug allergen;
sodium channel blocker
territrem bterritrem B: tremorgenic mycotoxin from Aspergillus terreus; RN given refers to (4aR-(4aalpha,6abeta,12aalpha,12bbeta))-isomer
metaphitmetaphit: site-directed acylating agent of phencyclidine receptors in rat brain; structure given in first source
6-phenylhexyl isothiocyanate
3',4'-dichlorobenzamil3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heartguanidines;
pyrazines
liquiritigenin4',7-dihydroxyflavanone : A dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7.

liquiritigenin : A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta.

liquiritigenin: structure given in first source; isolated from Pterocarpus marsupium
4',7-dihydroxyflavanonehormone agonist;
plant metabolite
oxymatrineoxysophoridine: an alkaloid isolated from Sophra alope; structure in first sourcealkaloid;
tertiary amine oxide
ro 15-3505
tanshinonetanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agentabietane diterpenoidanticoronaviral agent
1-(carboxymethylthio)tetradecane1-(carboxymethylthio)tetradecane: structure given in first source; alkylthio acetic acid, non-beta-oxidizablestraight-chain fatty acid
dihydroergocryptinedihydro-alpha-ergocryptine : alpha-Ergocryptine in which a single bond replaces the double bond between positions 9 and 10.ergot alkaloid
benzoylphenylalanyl-alanyl-prolinebenzoylphenylalanyl-alanyl-proline: synthetic angiotensin converting enzyme substrate
way 100135WAY 100135: a selective antagonist at presynaptic & postsynaptic 5-HT(1A) receptors; structure given in first sourcepiperazines
selenocystamineselenocystamine: RN given refers to parent cpd; structureorganoselenium compound
zk 93426ZK 93426: GABA-A receptor antagbeta-carbolines
sc 581251-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole: a COX-2 inhibitororganofluorine compound;
pyrazoles;
sulfone
antineoplastic agent;
cyclooxygenase 2 inhibitor
s-methyl glutathionemethyl sulfide;
S-substituted glutathione;
zwitterion
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid2-aminobicyclo(2,2,1)heptane-2-carboxylic acid: amino acid analog; releases insulin; RN given refers to unlabeled cpd without isomeric designationmonoterpenoid
2-iodomelatoninacetamides
nitisinone(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
plavixazaheterocycle sulfate salt;
organoammonium sulfate salt
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
sm 9018
3-chloro-4-hydroxyphenylacetic acid(3-chloro-4-hydroxyphenyl)acetic acid : A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine.

3-chloro-4-hydroxyphenylacetic acid: RN given refers to parent cpd
hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols
mammalian metabolite
n-(phenylthio)-epsilon-caprolactamN-(phenylthio)-epsilon-caprolactam: used as promoter for activation of thioglycosides; structure in first source
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
thiodigalactosidethiodigalactoside: RN given refers to beta-D-galactopyranoside (D-Gal)-isomer
efonidipine2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate : A carboxylic ester resulting from the formal condensation of the carboxy group of 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid with the hydroxy group of 2-[benzyl(phenyl)amino]ethanol.

efonidipine : A racemate comprising of equimolar amounts of (R)- and (S)-efonidipine. It is a antihypertensive drug and a dual T-type and L-type calcium channel blocker.
C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound
4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine: PAF antagonist
clofarabineadenosines;
organofluorine compound
antimetabolite;
antineoplastic agent
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
matairesinol(-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).

matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer
gamma-lactone;
lignan;
polyphenol
angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite
ginsenoside rh2(20S)-ginsenoside Rh2 : A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.

ginsenoside Rh2: from leaves of Panax ginseng C; structure given in first source
12beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite
elacridarElacridar: inhibitor of MDR1 PROTEIN; structure given in first source
gr 113808GR 113808 : An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.

GR 113808: structure given in first source; a 5-HT(4) receptor antagonist: GR 125487 is the HCl salt
indolyl carboxylate ester;
piperidines;
sulfonamide
serotonergic antagonist
s-(2-benzothiazolyl)cysteineS-(2-benzothiazolyl)cysteine: RN given refers to (L)-isomer; 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
5-hydroxy-1-tetralone5-hydroxy-1-tetralone: reagent for determination of glucose in body fluids; structure
4-fluorobenzenesulfonamide4-fluorobenzenesulfonamide: structure given in first source
3-phenyl-1H-pyrazole-5-carboxylic acidpyrazoles;
ring assembly
gilutensin hydrochloridegilutensin: CNS stimulant, anti-hypotensive agent; RN given refers to parent cpd; structurediarylmethane
sb 204070aSB 204070A: structure given in first source; a selective 5-HT(4) receptor antagonist
ezogabineezogabine : A substituted aniline that is benzene-1,2,4-triamine bearing ethoxycarbonyl and 4-fluorobenzyl substituents at positions N-1 and N-4 respectively. An anticonvulsant used to treat seizures associated with epilepsy in adults.

ezogabine: structure in first source
carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline
anticonvulsant;
potassium channel modulator
fpl-52694FPL-52694: mast cell stabilizer; RN given refers to parent cpd; FPL-52694 is mono-Na salt; structure given in first source
gidazepamgidazepam: prodrug for 7-bromo-5-phenyl-1,2-dihydro-3H-1,4-benzodiazepine-2-one
methyl lactosidebeta-D-Gal-(1->4)-beta-D-Glc-OMe : A methyl glycoside comprising methyl beta-D-glucoside having an beta-D-galactosyl residue at the 4-position.disaccharide derivative;
methyl glycoside
l 658758L 658758: structure & chemical name given in UD
formylmethionyl-leucyl-phenylalanine methyl esterpeptide
l 655240L 655240: thromboxane and prostaglandin endoperoxide receptor antagonist; structure given in first source; RN given is for parent cpdmethylindole
ae0047
lomerizine dihydrochloride
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
5-chloromethylfluorescein diacetateacetate esterfluorochrome
saccharolactoneD-glucaro-1,4-lactone : A delta-lactone that is D-glucono-1,4-lactone in which the hydroxy group at position 6 has been oxidised to the corresponding carboxylic acid.

saccharolactone: used as index for assessing induction of hepatic enzymes by anticonvulsants; RN given refers to cpd without isomeric designation
aldarolactone;
delta-lactone
a 68930A 68930: D-1 dopamine receptor agonist2-benzopyran
2-acetamido-1,5-imino-1,2,5-trideoxy-d-glucitol2-acetamido-1,5-imino-1,2,5-trideoxy-D-glucitol: structure given in first source
deoxyfuconojirimycindeoxyfuconojirimycin : A hydroxypiperidine in which the three hydroxy substituents are located at positions 3, 4 and 5 together with an additional methyl substituent at position 2.

deoxyfuconojirimycin: structure given in first source
hydroxypiperidine;
triol
fungal metabolite
gossylic nitrile-1,1'-diacetategossylic nitrile-1,1'-diacetate: inhibits human immunodeficiency virus Type I replication; structure given in first source
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
phacidinphacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria
profenamine hydrochlorideprofenamine hydrochloride : The monohydrochloride salt of profenamine. An antimuscarinic, it is used for the symptomatic treatment of Parkinson's disease.hydrochlorideadrenergic antagonist;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
aaptamineaaptamine: natural product from sea sponge Aaptos aaptos; structure given in first source; RN from CA Index Guide 1984
betulonic acidbetulonic acid: isolated from Rush javanica; strucure in first sourcetriterpenoidanticoronaviral agent
aromadedrin(+)-dihydrokaempferol : A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions.

aromadedrin: inhibits protein kinase C; the dihydro makes it a flavone rather than a flavonol
4'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone
metabolite
cyclic-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosinecyclic-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine: prodrug for HPMPC; specific name and structure not given in first source
perchlorateperchlorate : A monovalent inorganic anion obtained by deprotonation of perchloric acid.

perchlorate: the explosive component of rocket fuel; an environmental contaminant that disrupts THYROID HORMONES
chlorine oxoanion;
monovalent inorganic anion
1,3-indandione1,2-indanedione: use for detection of latent fingerprints on porous surfaces; structure in first source
2-palmitoylglycerol2-palmitoylglycerol : A 2-monoglyceride where the acyl group is hexadecanoyl (palmitoyl).

2-palmitoylglycerol: increases 2-arachidonoyl-glycerol cannabinoid activity
2-acylglycerol 16:0algal metabolite
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
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamineN-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)leucine derivative
5'-deoxy-5'-s-isobutylthioadenosine5'-deoxy-5'-S-isobutylthioadenosine: considered an analog of S-adenosylhomocysteine; structure
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
sq 28603SQ 28603: a selective neutral endopeptidase inhibitor
glycyl-arginyl-glycyl-aspartyl-serineglycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells
angiotensin ii, des-asp(1)-des-arg(2)-ile(5)-angiotensin II, des-Asp(1)-des-Arg(2)-Ile(5)-: 3-8 hexapeptide fragment of angiotensin II; smallest potent angiotensin II antagonistorganic molecular entity
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
3-(2,2,2-trimethylhydrazine)propionate3-(2,2,2-trimethylhydrazine)propionate: structural analog of gamma-butyrobetaine, also of carnitine; antianginal compound; MET-88 is dihydrate; structure given in first source

meldonium : An ammonium betaine that is beta-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. A clinically used cardioprotective drug that is used for treatment of heart failure, myocardial infarction, arrhythmia, atherosclerosis and diabetes.
ammonium betainecardioprotective agent;
EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor;
neuroprotective agent
ramatrobanorganic molecular entity
glycylglutamineglycylglutamine: inhibitory neuropeptide derived from beta-endorphin; RN given refers to (L)-isomerdipeptide;
dipeptide zwitterion
metabolite;
protective agent
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid : A furoic acid that is furan-3-carboxylic acid substituted by a methyl group at position 4, a propyl group at position 5 and a 2-carboxyethyl group at position 2. It is a potent uremic toxin that has been found to accumulate in human serum of patients with chronic kidney diseases.

3-carboxy-4-methyl-5-propyl-2-furanpropionic acid: structure in first source
dicarboxylic acid;
furoic acid
human metabolite;
uremic toxin
kelatorphankelatorphan: inhibitor of enkephalin metabolism; structure given in first source
e 64E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion
antimalarial;
antiparasitic agent;
protease inhibitor
4-amino-n-(2,6-dimethylphenyl)phthalimide4-amino-N-(2,6-dimethylphenyl)phthalimide: a potent anticonvulsant against maximal electroshock-induced seizures; structure given in first source
glabridinhydroxyisoflavansantiplasmodial drug
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
1,2-hexanoylphosphatidylcholine1,2-hexanoylphosphatidylcholine: RN given refers to cpd without isomeric designation
iguratimodiguratimod: an immunosuppressive agentorganic molecular entity
3-deazaguanosine3-deazaguanosine: structure
demethoxyviridindemethoxyviridin: blocks phospholipase C & D activation in human neutrophils; RN from Toxlit
1,2,3,4-tetrahydroxy-nor-tropanecalystegine B(2): RN given for (2-endo,3-exo,4-endo)-isomer; structure in first source
3-ethoxy-beta-carboline3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties
tert-butyl beta-carboline-3-carboxylatetert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist
thiamine thiazolone pyrophosphatethiamine thiazolone pyrophosphate: structure
2,5-dihydroxymethyl-3,4-dihydroxypyrrolidine2,5-dihydroxymethyl-3,4-dihydroxypyrrolidine: structure given in first sourcedihydroxypyrrolidine
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
(3-(n-hydroxy)carboxamido-2-benzylpropanoyl)glycine
4-phenylbutyl isothiocyanate4-phenylbutyl isothiocyanate: structure given in first source; inhibits tumorigenesis induced by 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanonebenzenes;
organic amino compound
w 7
benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketonebenzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone: inhibits cathepsins B and Lcarboxylic ester;
diazo compound;
L-phenylalanine derivative;
secondary carboxamide
cathepsin L (EC 3.4.22.15) inhibitor
3'-deamino-3'-hydroxydaunorubicin3'-deamino-3'-hydroxydaunorubicin: structure given in first source
glutamate thiolglutamate thiol: structure given in first source; RN given refers to (S)-isomer
4'-amino-6-hydroxyflavone4'-amino-6-hydroxyflavone: a p53/56(lyn) inhibitor; structure given in first sourceflavones
5-(4-piperidyl)isoxazol-3-ol5-(4-piperidyl)isoxazol-3-ol: structure given in first source; a partial agonist at the GABA-A receptor on cultured hippocampal neurones; antagonizes muscimol-stimulated benzodiazepine binding to rat cortical membranespiperidines
indatralineindatraline: RN given for (trans)-isomer; structure in first sourceindanes
tertiary-butyloxycarbonyl-phenylalanyl-seryl-arginyl-4-methylcoumarin-7-amide
bd 1008BD 1008: structure in first sourceprimary amine
furamidinefuramidine: RN given refers to parent cpd; WR 199385 refers to di-HCl; pafuramidine is a prodrug of this
lestaurtinibindolocarbazole
5'-noraristeromycin5'-noraristeromycin: structure given in first source
gyki 53655GYKI 53655: an AMPA (alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate) receptor antagonist
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
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
sr 11237SR 11237: structure given in first source
ono 3307ONO 3307: RN given refers to parent cpd; structure given in first source
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
3',6-dinitroflavone
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
ro 32-0432
fpl 67047xxFPL 67047XX: inhibits phospholipase A2; structure in first source
4-iodo-n-piperidinoethylbenzamide4-iodo-N-piperidinoethylbenzamide: a malignant melanoma imaging agent; structure given in first sourcecarbonyl compound;
organohalogen compound
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
esonarimodesonarimod: suppresses lymphocyte activating factor activity or biosynthesis; structure given in first sourcearomatic ketone
gr 55562benzamides
n 0734N 0734: dopamine receptor agonist; structure given in first source
10-(4'-chlorophenyl)-3-methylflavin10-(4'-chlorophenyl)-3-methylflavin: structure given in first source
n-(2-isobutyl-3-(n'-hydroxycarbonylamido)propanoyl)-o-methyltyrosinemethylamideN-(2-isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide: RN given refers to the (S-(R*,S*))-isomer
ro 11-6893Ro 11-6893: RN given refers to (R)-isomer
2-(4-ethoxybenzyl)-1-diethylaminoethyl-5-isothiocyanatobenzimidazole2-(4-ethoxybenzyl)-1-diethylaminoethyl-5-isothiocyanatobenzimidazole: site directed alkylating agent; selective agonist for mu receptors
4-methyoxybenzoyl-n-glycineN-acylglycine
delphinidindelphinidin : An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium.

delphinidin: RN given refers to parent cpd;
5-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite
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
xaliprodenxaliproden : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine which is substituted on the nitrogen by a 2-(2-naphthyl)ethyl group and at position 4 by a m-trifluoromethylphenyl group.(trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine
serotonergic agonist
l 659286L 659286: structure given in first source; RN given from Toxlit 6/89
rufinamiderufinamide: for treatment of Lennox-Gastaut syndrome; structure in first sourcearomatic amide;
heteroarene
cki 7N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I.

N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source
isoquinolines;
organochlorine compound;
primary amino compound;
sulfonamide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bwa 137c
(hydroxy-2-naphthalenylmethyl)phosphonic acid(hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source
ku 1257KU 1257: structure given in first sourcepiperidines
1-naphthylacetylsperminenaphthalenes
cgp 36742(3-aminopropyl)(n-butyl)phosphinic acid: interacts preferably with GABA-B RECEPTORS (IC50=38 μM) and GABA-C receptors (IC50=62 μM) over GABA-A RECEPTORS (IC50=508 μM)
norgallopamilnorgallopamil: structure given in first source
n-isobutyrylcysteineN-isobutyrylcysteine: RN given refers to L-isomer
sulbactampenicillanic acids
foy 2514-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide
glycyl- arginyl-glycyl-aspartyl-seryl-prolyl-lysine
olmesartan medoxomilOlmesartan Medoxomil: An ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to manage HYPERTENSION.biphenyls
e 5880E 5880: platelet activating factor antagonist; RN given refers to chloride; RN for parent cpd not avail 2/92; structure given in first source
dexpanthenoldexpanthenol: The alcohol of pantothenic acidamino alcohol;
monocarboxylic acid amide
cholinergic drug;
provitamin
2-(4-morpholinyl)-4h-1-benzopyran-4-one2-(4-morpholinyl)-4H-1-benzopyran-4-one: an aminochromone; exhibits both antiproliferative and antichemotactic activity in vitro
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
pagocloneRP 59037: a partial benzodiazepine receptor agonist; a cyclopyrrolone that induces hypothermia
n-(3-ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
c 1311C 1311: an imidazoacridinone; arrests cell-cycle progression in the G2 phase of L1210 cells; structure given in first source
c 1310C 1310: an imidazoacridinone; arrests cell-cycle progression in the G2 phase of L1210 cells; structure given in first source
quilostigminequilostigmine: RN given for (3aS,cis)-isomer; structure in first sourcepyrroloindole
cp-166,572
ici d2138ICI D2138: structure given in first source; inhibitor of leukotriene B4 synthesis
sc 53116SC 53116: serotonin agonist; pyrrolizidine cpd but not alkaloid; structure given in first source
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamideN,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesisphenylindole
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
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine
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
fr 120480FR 120480: cholecystokinin antagonist; structure given in first sourceN-acyl-amino acid
cgs 26303CGS 26303: a potent non-peptidic inhibitor of neutral endopeptidase capable of protecting atrial natriuretic peptide from enzymatic degradation; structure given in first source
abiraterone3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines
antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
ru 58841
l 741742L 741742: selective toward D4 receptors; structure in first sourceprimary amine
ml-3000
hapalosinhapalosin: cyclodepsipeptide; RN given refers to (2S-(2R*,5R*,6S*,10S*,11R*))-isomer; reverses multidrug resistance; structure in first source
5'-(sulfonylbenzoyl)adenosine5'-(sulfonylbenzoyl)adenosine: covalently binds to platelet membrane
risarestatthiazolidinone
3-(mercaptomethyl)-2-oxo-1-piperidineacetic acid
imiloxanbenzodioxine
l 7416263-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first sourcepiperidines
2-bromohippuric acid
retrothiorphanretrothiorphan: RETRO-THIORPHAN was an EN to THIORPHAN 1989-93
febuxostatfebuxostat : A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout.

Febuxostat: A thiazole derivative and inhibitor of XANTHINE OXIDASE that is used for the treatment of HYPERURICEMIA in patients with chronic GOUT.
1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile
EC 1.17.3.2 (xanthine oxidase) inhibitor
pixantronepixantrone: an immunosuppressant; structure given in first sourceisoquinolines
bp 554BP 554: structure given in first sourcepiperazines
b-ht 958B-HT 958: RN given refers to parent cpd
alpha-ergocryptinealpha-ergocryptine : Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.

ergocryptine: a component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses; minor descriptor (76-86); on-line & INDEX MEDICUS search ERGOLINES (76-86); RN given refers to ((5'alpha)-isomer)
ergot alkaloid
aspartamecarboxylic acid;
dipeptide;
dipeptide zwitterion;
methyl ester
apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
bts 54 505BTS 54 505: metabolite of sibutramine; structure in first source
pomalidomide3-aminophthalimidoglutarimide: structure in first sourcearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
xylosexylopyranose: structure in first sourceD-xylose
l 645151L 645151: structure given in first source
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
gyrophoric acidgyrophoric acid: a tridepside isolated from Parmelia nepalensiscarbonyl compound
4-androstene-3,17-diol4-androstene-3,17-diol: RN given refers to (3alpha,17beta)-isomer3-hydroxy steroidandrogen
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
a 58365aA 58365A: from Streptomyces chromofuscus; structure given in second source
tempolaminoxyls;
hydroxypiperidine
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
perrhenateperrhenate: RN given refers to cpd with MF of O4-Remonovalent inorganic anion;
rhenium oxoanion
5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecanesecondary amino compound
4'-methylbiphenyl-2-carbonitrile4'-methylbiphenyl-2-carbonitrile: structure in first source
sinensetinsinensetin : A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively.

sinensetin: isolated from citrus fruit; exhibit antiadhesive action on platelets
pentamethoxyflavoneplant metabolite
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
3,3',4'-trihydroxyflavone3',4'-dihydroxyflavonol: a neuroprotective agenthydroxyflavan
3-octylthio-1,1,1-trifluoro-2-propanone3-octylthio-1,1,1-trifluoro-2-propanone: a pesticide synergist; inhibits juvenile hormone esterase
pitrazepinpitrazepin: effects are not tissue specific; induced a bursting discharge pattern in cultures derived from hippocampus & hypothalamus; structure given in first sourceN-arylpiperazine
escitalopramescitalopram : A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram.

Escitalopram: S-enantiomer of CITALOPRAM. Belongs to a class of drugs known as SELECTIVE SEROTONIN REUPTAKE INHIBITORS, used to treat depression and generalized anxiety disorder.
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
lexaproLexapro: Trade name of escitalopram, the active S-enantiomer of the racemic citalopram.
l 650719
selenomethylselenocysteineSe-methyl-L-selenocysteine : An L-alpha-amino acid compound having methylselanylmethyl as the side-chain.

Se-methylselenocysteine : An alpha-amino acid compound having methylselanylmethyl as the side-chain.
amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine
antineoplastic agent
6-methoxyflavone6-methoxyflavone: suppresses NFAT-mediated T cell activation; structure in first sourceether;
flavonoids
10-propargyl-10-deazaaminopterin10-propargyl-10-deazaaminopterin: structure in first source

pralatrexate : A pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma.
N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxelhydrate;
secondary alpha-hydroxy ketone
antineoplastic agent
docetaxel anhydrousdocetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.

Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid
antimalarial;
antineoplastic agent;
photosensitizing agent
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
bdp 121-(quinoxalin-6-ylcarbonyl)piperidine: modulates AMPA receptor desensitization ; an analog of 1-(1,3-benzodioxol-5-ylcarbonyl)piperidineN-acylpiperidine
atazanaviratazanavir : A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).carbohydrazideantiviral drug;
HIV protease inhibitor
lonafarniblonafarnib : A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor.

lonafarnib: inhibitor of farnesyl protein transferase
4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
chs 828aromatic ether
ym 872YM 872: structure in first source
tariquidarbenzamides
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
malagashaninemalagashanine: from Strychnos sp.; structure given in first source
9-(2-hydroxy-3-nonyl)adenine(2S,3R)-EHNA : EHNA of absolute configuration 2S,3R.EHNA
ezetimibeezetimibe : A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).

Ezetimibe: An azetidine derivative and ANTICHOLESTEREMIC AGENT that inhibits intestinal STEROL absorption. It is used to reduce total CHOLESTEROL; LDL CHOLESTEROL, and APOLIPOPROTEINS B in the treatment of HYPERLIPIDEMIAS.
azetidines;
beta-lactam;
organofluorine compound
anticholesteremic drug;
antilipemic drug;
antimetabolite
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
phenylalanylargininePhe-Arg : A dipeptide composed of L-phenylalanine and L-arginine joined by a peptide linkage.

phenylalanylarginine: RN given refers to all (L)-isomer
dipeptidemetabolite
alanine-4-nitroanilidealanine-4-nitroanilide: substrate for aminopeptidase M
4-aminophenylalanine4-amino-L-phenylalanine : The L-enantiomer of 4-aminophenylalanine.

4-aminophenylalanine : A phenylalanine derivative that is phenylalanine carrying an amino group at position 4 on the benzene ring.

4-aminophenylalanine: RN given refers to cpd without isomeric designation
4-aminophenylalanine;
amino acid zwitterion
4-hydroxyhippuric acidp-hydroxyhippuric acid : An N-acylglycine that is the 4-hydroxy derivative of hippuric acid.N-acylglycinehuman blood serum metabolite
nepafenacnepafenac : A monocarboxylic acid amide that is amfenac in which the carboxylic acid group has been converted into the corresponding carboxamide. It is a prodrug for amfenac, used in eye drops to treat pain and inflammation following cataract surgery.

nepafenac: amide analog of amfenac; structure in first source
monocarboxylic acid amidecyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
aspartylglycineAsp-Gly : A dipeptide composed of L-aspartic acid and glycine joined by a peptide linkage.dipeptidemetabolite
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
cariporidecariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source
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
8-(methylsulfonylamino)quinoline8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source
enkephalin-leu, des-tyr(1)-enkephalin-Leu, des-Tyr(1)-: RN given refers to all (L)-isomer
3,3',4,5'-tetrahydroxybibenzyl3,3',4,5'-tetrahydroxybibenzyl: from Cassia garrettiana; structure given in first source
5-chlorooxindole5-chlorooxindole: structure 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
as 3201ranirestat: an aldose reductase inhibitor; AS-3201 and SX-3202 are the (R-(-))- and (S-(+))-isomers, respectively; structure in first source
rostafuroxinrostafuroxin: structure in first source
l 738167L 738167: structure in first source
clevidipineclevidipine: a calcium channel blocker and antihypertensive agent; structure in first sourcedihydropyridine
zosuquidar trihydrochloride
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
solifenacinisoquinolines
3',4',7-trimethoxyflavone
bcx 18123-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
bazedoxifene acetate
hyoscyamine(S)-atropine : An atropine with a 2S-configuration.

Hyoscyamine: The 3(S)-endo isomer of atropine.
tropane alkaloid
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
4-methoxyhonokiol4-methoxyhonokiol: an NSAID isolated from Magnolia obovata; structure in first source
moracin cbenzofurans
xamoterolXamoterol: A phenoxypropanolamine derivative that is a selective beta-1-adrenergic agonist.morpholines
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
compound 20
ym 09151-2(2R,3R)-nemonapride : An optically active form of nemonapride having (2R,3R)-configuration.

nemonapride : A racemate composed of (2S,3S)- and (2R,3R)-enantiomers of nemonapride. Highly potent dopamine D2-like receptor antagonist; selective over D1-like receptors (Ki values are 0.1 and 740 nM for D2-like and D1-like receptors respectively). Also potent 5-HT1A receptor agonist (IC50 = 34 nM) and has affinity for sigma receptors.

nemonapride: structure in first source; RN given refers to compound with no isomeric designation
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
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
cinacalcet hydrochloridecinacalcet hydrochloride : A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride.

Cinacalcet Hydrochloride: A naphthalene derivative and CALCIMIMETIC AGENT that increases the sensitivity of PARATHYROID GLAND calcium-sensing receptors to serum calcium. This action reduces parathyroid hormone secretion and decreases serum calcium in the treatment of PARATHYROID DISEASES.
hydrochloridecalcimimetic;
P450 inhibitor
cinacalcetcinacalcet : A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group.(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound
calcimimetic;
P450 inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
lactitollactitol : A glycosyl alditol consisting of beta-D-galactopyranose and D-glucitol joined by a 1->4 glycosidic bond. It is used as a laxative, as an excipient, and as replacement bulk sweetener in some low-calorie foods.glycosyl alditolcathartic;
excipient;
laxative
bila 2157 bsBILA 2157 BS: renin inhibitor; RN given for (1S-(1R*(S*),2S*,3R*))-isomer; structure in first source
lidorestatlidorestat: might prove useful in treating chronic diabetic complications; structure in first source
ustiloxin dustiloxin D: an antimitotic cyclic peptide; from false smut balls on rice panicles caused by Ustilaginoidea virens; structure given in first sourceoligopeptide
lercanidipine hydrochloridediarylmethane
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
olmesartanolmesartan: an active metabolite of CS 866biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
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
malvidinmalvidin : An anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3' and 5'.

malvidin: RN given refers to parent cpd; coloring agent from flowers of Malvaviscus conzatti
5-hydroxyanthocyanidinbiological pigment;
metabolite
7-octylindolactam v7-octylindolactam V: only (-)-isomer has carcinogenic activity
tipifarnibimidazoles;
monochlorobenzenes;
primary amino compound;
quinolone
antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
torcetrapib(trifluoromethyl)benzenes;
carbamate ester;
quinolines
anticholesteremic drug;
CETP inhibitor
homonojirimycinhomonojirimycin: inhibits alpha-glucosidase; RN given for (2R-(2alpha,3alpha,4beta,5alpha,6beta))-isomer; structure in first source
atrasentanAtrasentan: A pyrrolidine and benzodioxole derivative that acts a RECEPTOR, ENDOTHELIN A antagonist. It has therapeutic potential as an antineoplastic agent and for the treatment of DIABETIC NEPHROPATHIES.pyrrolidines
bb3497BB3497: peptide deformylase inhibitor; structure in first source
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
fidarestatfidarestat: structure given in first source
sch 45752organic heterotricyclic compound;
organooxygen compound
oxidopamine hydrochloride
cryptotanshinonecryptotanshinone: from Salvia miltiorrhizaabietane diterpenoidanticoronaviral agent
territrem cterritrem C: tremorgenic mycotoxin from Aspergillus terreus; MF C28-H32-O9; structure given in first source
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
3,5-diiodothyropropionic acid3,5-diiodothyropropionic acid : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)propanoic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxyphenyl group. An ionotropic analogue of L-thyroxine.

3,5-diiodothyropropionic acid: a cardiotonic thyroid hormone analog
aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
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
phenylethyl isocyanate2-phenylethyl isocyanate : An isocyanate having a 2-phenylethyl group attached to the nitrogen.isocyanateshapten
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
clobenzorex hydrochloride
1-hydroxy-2-methylanthraquinone1-hydroxy-2-methyl-9,10-anthraquinone : A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.

1-hydroxy-2-methylanthraquinone: from root of Prismatomeris tetrandra
monohydroxyanthraquinoneplant metabolite
chrysamine gchrysamine G: structure given in first source; RN refers to disodium salt
epiberberineepiberberine: isolated in plants of Coptis from China
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
pyropheophorbide apyropheophorbide a: RN given refers to (3S-trans)-isomer
ampelopsin(+)-dihydromyricetin : An optically active form of dihydromyricetin having (2R,3R)-configuration.

ampelopsin: hepatoprotective agent; isolated from Hovenia dulcis; RN given for (2R-trans)-isomer; structure in first source
dihydromyricetin;
secondary alpha-hydroxy ketone
antineoplastic agent;
antioxidant;
metabolite
ethyl adenosine-5'-carboxylateethyl adenosine-5'-carboxylate: potent vasoactive substance; RN given refers to parent cpd
dihydroguaiaretic aciddihydroguaiaretic acid: lignan extracted form Larrea divaricata; inhibitory to beef heart mitochondrial succinoxidase & NADH-oxidase; RN given refers to cpd without isomeric designation
fpl 52757FPL 52757: FPL 52758 is Na salt of FPL 52757; structure in first source; RN given refers to parent cpd
desacetyl cephapirindesacetyl cephapirin: RN given for (6R)-trans-isomer; structure given in first source
bioresmethrinbioresmethrin: RN given refers to (1R-trans)-isomer; structurefurans;
resmethrin
pyrethroid ester insecticide
desmethylazelastinedesmethylazelastine: azelastine metabolitephthalazines
naphthalenesulfonamide
y 23023pyridochromene
cyclophellitolcyclophellitol: structure given in first source; isolated from Phellinus sp.
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
pyrrolidino-benzylphenoxyethanamine
ly 300164talampanel: AMPA receptor antagonistbenzodioxoles
isoindigotinisoindigotin: used in treatment of chronic granulocytic leukemia; 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
corbadrinealpha-methylnoradrenaline : A catecholamine in which the 2-aminoethyl group is substituted with a hydroxy group at C-1 and a methyl group at C-2, with configurations 1R,2S. A metabolite of alpha-methyl-L-dopa, it is an alpha2-adrenergic agonist and acts as a topical nasal decongestant and vasoconstrictor, most often used in dentistry.catecholaminealpha-adrenergic agonist;
nasal decongestant;
vasoconstrictor agent
enniatin benniatin B : An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.

enniatins: cyclohexadepsipeptides containing valine, isoleucine & valeric acid from Fusarian; form complexes with cations & cellular membranes; there are at least three different enniatins H, B & C; minor descriptor (76-86); on-line & INDEX MEDICUS search PEPTIDES, CYCLIC (76-86); see also record for enniatin D, E, F
enniatinantimicrobial agent
tetraphenylphosphoniumtetraphenylphosphonium : A polyatomic cation consisting of four phenyl groups attached to a central phosphonium.

tetraphenylphosphonium: RN given refers to parent cpd; structure
heteroorganic entity;
phosphorus molecular entity;
polyatomic cation
thymidine 5'-4-nitrophenyl phosphatep-nitrophenyl thymidine 5'-monophosphate : A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate that is the mono-p-nitrophenyl ester of thymidine 5'-monophosphate.

thymidine 5'-4-nitrophenyl phosphate: RN given refers to parent cpd
aryl phosphate;
C-nitro compound;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate
2-phenyl-1,2-benzisothiazol-3-(2h)-one2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen
histidinolL-histidinol : An amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer).amino alcohol;
imidazoles
EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
chlorzolamidechlorzolamide: structure
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
butamisole
5-formamidoimidazole-4-carboxamide ribotide5-formamidoimidazole-4-carboxamide ribotide: purine precursor1-(phosphoribosyl)imidazolecarboxamideEscherichia coli metabolite;
mouse metabolite
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
10-gingerolbeta-hydroxy ketone;
monomethoxybenzene;
phenols
n-valyltryptophanN-valyltryptophan: RN given refers to (L)-isomerpeptide
cussonoside bcussonoside B: triterpene saponin from Cussonia barteri bark; structure given in first source
4-(2-aminoethyl)benzenesulfonamide
n,n-di-n-propylserotoninN,N-di-n-propylserotonin: structure given in first source
procyanidin C1procyanidin C1 : A proanthocyanidin consisting of three (-)-epicatechin units joined by two successive (4beta->8)-linkages.

procyanidin trimer C1: a flavonoid found in multiple plant sources including grape, apple, and cacao, which has antioxidant and anti-inflammatory properties
hydroxyflavan;
polyphenol;
proanthocyanidin
anti-inflammatory agent;
antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
lipoxygenase inhibitor;
metabolite
17 alpha-hydroxyprogesterone caproate17 alpha-Hydroxyprogesterone Caproate: Hydroxyprogesterone derivative that acts as a PROGESTIN and is used to reduce the risk of recurrent MISCARRIAGE and of PREMATURE BIRTH. It is also used in combination with ESTROGEN in the management of MENSTRUATION DISORDERS.corticosteroid hormone
2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acidamino acid amide
cussonoside acussonoside A: triterpene saponin from Cussonia barteri (Araliaceae) with sedative effect;
angiotensin iiGiapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock

Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).
amino acid zwitterion;
angiotensin II
human metabolite
abt 980
fpl 59257FPL 59257: abolishes cough response & partly inhibits bronchoconstriction produced by leukotrienes C & D
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
imazalil sulfate
atropinetropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.
valiolaminevaliolamine: isolated from Streptomyces hygroscopicus; RN from CA Index; RN not in Chemline 2/85
ropivacaine(S)-ropivacaine : A piperidinecarboxamide-based amide-type local anaesthetic (amide caine) in which (S)-N-propylpipecolic acid and 2,6-dimethylaniline are combined to form the amide bond.

ropivacaine : The piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline.

Ropivacaine: An anilide used as a long-acting local anesthetic. It has a differential blocking effect on sensory and motor neurons.
piperidinecarboxamide;
ropivacaine
local anaesthetic
mesotrionemesotrione : An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.

mesotrione: brandname is after the Callistemon (MYRTACEAE) plant it was found in; structure in first source
aromatic ketone;
beta-triketone;
C-nitro compound;
sulfone
carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
migalastatmigalastat: a potent inhibitor of glycolipid biosynthesispiperidines
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
2'-hydroxyflavanone
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
zeneca zd 6169Zeneca ZD 6169: an ATP-sensitive potassium channel opener; structure given in first source
ym 511YM 511: a non-steroidal aromatase inhibitor; structure given in first source
l 694,458DMP 777: structure given in first source
jtp 4819JTP 4819: a prolyl endopeptidase inhibitor; structure given in first source
f 1394F 1394: an acyl-CoA:cholesterol acyltransferase (ACAT) inibitor; structure given in first source
orbofibanorbofiban: structure in first source
eslicarbazepine acetateeslicarbazepine acetate : The acetate ester, with S configuration, of licarbazepine. An anticonvulsant, it is approved for use in Europe and the United States as an adjunctive therapy for epilepsy.acetate ester;
carboxamide;
dibenzoazepine;
ureas
anticonvulsant;
drug allergen
limoninepoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound
inhibitor;
metabolite;
volatile oil component
dizocilpinesecondary amino compound;
tetracyclic antidepressant
anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
gvs 111
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
3-hydroxyglutaric acid3-hydroxyglutaric acid : A 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I.3-hydroxy carboxylic acid;
alpha,omega-dicarboxylic acid
human blood serum metabolite;
human urinary metabolite
3,4-divanillyltetrahydrofuran3,4-divanillyltetrahydrofuran: lignan with the highest binding affinity; structure in first source
(+)-epicatechin(+)-epicatechin : A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).catechin;
polyphenol
cyclooxygenase 1 inhibitor;
plant metabolite
4',6-dihydroxyflavone4',6-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 4' and 6.dihydroxyflavone
calystegine a3calystegine A3: also inhibits beta-xylosidase; structure in first source
melagatranazetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
ak 295AK 295: a dipeptide alpha-ketoamide calpain inhibitor
sibenadetsibenadet: structure in first source
hydroxycitric acidcarbonyl compound
dioxiramdioxiram: structure given in first source
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
dihydroresveratroldihydroresveratrol : A stilbenol that is 1,1'-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4'.

dihydroresveratrol: structure in first source
stilbenolplant metabolite;
xenobiotic metabolite
pefabloc
7-aminoclonazepambenzodiazepine
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
histidylleucineHis-Leu : A dipeptide formed from L-histidine and L-leucine residues.dipeptide;
dipeptide zwitterion
metabolite
ceronaprilceronapril: structure given in first source; RN given for (S)-isomerN-acyl-amino acid
minalrestatminalrestat: a vasoactive agentisoquinolines
3-hydroxyterphenyllin3-hydroxyterphenyllin : A para-terphenyl that is the 3-hydroxy derivative of terphenyllin. It has been isolated from Aspergillus taichungensis.

3-hydroxyterphenyllin: metabolite of Aspergillus candidus; structure
catechols;
dimethoxybenzene;
para-terphenyl
Aspergillus metabolite
hexestrol
ro 5-3438Ro 5-3438: structure
beta-naphthamidinebeta-naphthamidine: RN given refers to parent cpd
valienaminevalienamine: intermediate formed by microbial degradation of validamycins; structure given in first source
4-methyl-3-(phenylsulfonyl)furoxan4-methyl-3-(phenylsulfonyl)furoxan: structure given in first source; a human guanylate cyclase activator
etravirineaminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound
antiviral agent;
HIV-1 reverse transcriptase inhibitor
succinylprolineN-acyl-amino acid
prolylglutamic acidPro-Glu : A dipeptide formed from L-proline and L-glutamic acid residues.dipeptidemetabolite
sq 14,6032-benzyl-3-mercaptopropanoic acid: structure; carboxypeptidase inhibitor
sq 247982-mercaptomethyl-5-guanidinopentanoic acid: structure
3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-2,6-pyrazinediamine3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-2,6-pyrazinediamine: amiloride prodrug; structure given in first source
3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)n-hydroxy-5-methylhexanamide3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide: structure in first source
inositol 2,4,6-triphosphate
Cromoglicate lisetilalpha-amino acid ester
7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin: RN & structure given in first source
fr 122047aromatic amide;
thiazoles
palmarumycin cp(1)palmarumycin CP(1): a type of spirobisnaphthalene, which contain two naphthalene-derived c10 units bridged through a spiroketal linkage with two oxygen bridges; structure in first source
rs 1274452-amino-4-(4-fluoronaphth-1-yl)-6-isopropylpyrimidine: a 5-HT(2B) receptor antagonist; structure in first source
latrepirdinelatrepirdine: structuremethylpyridines;
pyridoindole
geroprotector
u 93631
donitriptandonitriptan: a 5-HT(1D) agonist; structure in first source
benfluorex hydrochloride
(-)-gallocatechin gallate(-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea.catechin;
gallate ester;
polyphenol
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
4-methoxyphenylboronic acid4-methoxyphenylboronic acid: structure in first source
diisooctyl phthalate
troleandomycintroleandomycin : A semi-synthetic macrolide antibiotic obtained by acetylation of the three free hydroxy groups of oleandomycin. Troleandomycin is only found in individuals that have taken the drug.

Troleandomycin: A macrolide antibiotic that is similar to ERYTHROMYCIN.
acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative
EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
razaxabanrazaxaban: structure in first source
5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidineisoquinolines
maropitantmaropitant: neurokinin-1 receptor antagonist for treatment and prevention of emesis
1-(1-phenylcyclopentyl)methylaminecyclopentanes;
primary aliphatic amine
muraglitazarmuraglitazar: has glucose- and lipid-lowering activities; structure in first source; molecule composed of benzyloxazole-phenoxy-oxybenzylglycine-phenoxyl having structural analogy to PHENOXYBENZAMINE1,3-oxazoles
Difeteroldiarylmethane
dronedaronedronedarone : A member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias.

Dronedarone: A non-iodinated derivative of amiodarone that is used for the treatment of ARRHYTHMIA.
1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
environmental contaminant;
xenobiotic
ramelteonramelteon: melatonin MT1/MT2 receptor agonistindanes
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
fk 1052fabesetron : An organic heterotricyclic compound that is 8,9-dihydropyrido[1,2-a]indol-6(7H)-one substituted by a (5-methyl-1H-imidazol-4-yl)methyl group at position 7R and a methyl group at position 10. It is a dual 5-HT3 and 5-HT4 receptors antagonist whose clinical development was terminated in phase II. It was being developed for the treatment of chemotherapy-induced emesis and irritable bowel syndrome.

FK 1052: a serotonin 3 & 4 dual receptor antagonist; structure given in first source
imidazoles;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
1H-indol-3-yl-(4-methoxyphenyl)methanoneN-acylindole
hmr 17665-chloro-2-(5-chlorothiophene-2-sulfonylamino)-N-(4-(morpholine-4-sulfonyl)phenyl)benzamide: a soluble guanylyl cyclase activator; structure in first source
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
dofequidardofequidar: structure given in first source
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
dapivirineDapivirine: effectively prevented human immunodeficiency virus (HIV) infection in cocultures of monocyte-derived dendritic cells and T cells, representing primary targets in sexual transmission
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
tbc-11251sitaxsentan: endothelin A receptor antagonist; structure in first sourcebenzodioxoles
tolvaptanbenzazepine;
benzenedicarboxamide
aquaretic;
vasopressin receptor antagonist
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
Tobicillinpenicillin
ono 6818ONO 6818: structure in first source
succinobucolsuccinobucol: monosuccinic acid ester of probucol; a metabolically stable modification of probucol, an equipotent antioxidant to probucol but is pharmacologically distinctbenzoate ester;
phenols
lenalidomidearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
nutlin 3stilbenoid
l 778,123L-778,123 (free base) : A member of the class of imidazoles that is 1H-imidazole substituted by (4-cyanophenyl)methyl and [4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl groups at positions 1 and 5, respectively. It is a dual inhibitor of FPTase and GGPTase-I.imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound
antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
ocinaplonocinaplon: pyrazolo[1,5-a]-pyrimidine that exhibits an anxioselective profile in both preclinical procedures and in patients with generalized anxiety disorder; GABA(A) receptor modulator & Anti-Anxiety Agent
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
1-methylpropyl-2-imidazolyl disulfide1-methylpropyl-2-imidazolyl disulfide: a thioredoxin inhibitor with antineoplastic activityimidazoles
3-hydroxy-quinazoline-2,4-dione3-hydroxy-quinazoline-2,4-dione: structure in first source
salophensalphen: structure in first source
n-phenylacrylamideN-phenylacrylamide: structure in first source
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
brazilinbrazilin : A organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood).

brazilin: structure given in first source
1-benzopyran
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
cortisone11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
human metabolite;
mouse metabolite
equilinEquilin: An estrogenic steroid produced by HORSES. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the URINE of pregnant mares.17-oxo steroid;
3-hydroxy steroid
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] esteranilide
gossypol acetic acid
19-norprogesterone19-norprogesterone: RN given refers to cpd without isomeric designationcorticosteroid hormone
lilial
4'-hydroxyflavone4'-hydroxyflavone: structure in first source
nandrolone phenpropionatenandrolone phenpropionate: RN given refers to (17 beta)-isomer3-phenylpropionate esteranabolic agent;
androgen
3-cyanoindole
aminopyridazineaminopyridazine: structure in first source
colchiceinecyclic ketone
2-(4-aminophenyl)benzothiazole2-(4-aminophenyl)benzothiazole: an agent with selective profile of in vitro anti-tumour activity; structure in first source
nsc 36398NSC 36398: structure in first source
5-Fluoroisatinindolesanticoronaviral agent
epinastinedexamethasone acetate: RN given refers to (11beta,16alpha)-isomercorticosteroid hormone
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]anilinearomatic ether;
substituted aniline
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
5 alpha-androstane-3 beta,17 beta-diol5alpha-androstane-3beta,17beta-diol : An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone.17beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol
Daphnia magna metabolite;
human metabolite
lanosterol14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid
bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
21-hydroxypregnenolone21-hydroxypregnenolone : A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.

21-hydroxypregnenolone: RN given refers to (3beta)-isomer;
21-hydroxy steroid;
hydroxypregnenolone;
primary alpha-hydroxy ketone
mouse metabolite
epitrate(S)-adrenaline : The S-enantiomer of adrenaline.4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
medrysonecorticosteroid hormone
vincristine sulfateorganic sulfate saltantineoplastic agent;
geroprotector
melengestrol acetateMelengestrol Acetate: A 6-methyl PROGESTERONE acetate with reported glucocorticoid activity and effect on ESTRUS.corticosteroid hormone
anisomycin(-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.

Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic
anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
potassium bromidepotassium bromide : A metal bromide salt with a K(+) counterion.potassium salt
sodium bromidesodium bromide : An inorganic sodium salt having bromide as the counterion.

sodium bromide: RN given refers to parent cpd
bromide salt;
inorganic sodium salt
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
nsc-89199estramustine phosphate : A steroid phosphate which is the 17-O-phospho derivative of estramustine.carbamate ester;
organochlorine compound;
steroid phosphate
estramustineestramustine : A carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid.

Estramustine: A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.
17beta-hydroxy steroid;
carbamate ester;
organochlorine compound
alkylating agent;
antineoplastic agent;
radiation protective agent
n,n'-bis(salicylidene)-1,6-hexanediamineN,N'-bis(salicylidene)-1,6-hexanediamine: structure in first source
arsenic trioxide
beta-thujone(-)-alpha-thujone : The (1S,4R,5R)-stereoisomer of alpha-thujone.

alpha-thujone : The rel-(1R,4S,5S)-stereoisomer of thujone.

thujone : A thujane monoterpenoid that is thujane substituted by an oxo group at position 3.
alpha-thujone
gardenin agardenin A: promotes neurite outgrowth; structure in first source
nsc 953971,4-naphthoquinones
1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-onechalcones
methylnaphthazarinmethylnaphthazarin: 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
phenethicillinphenethicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-phenoxypropanamido group.

phenethicillin: minor descriptor (85); major descriptor (63-84); on-line search PENICILLIN, PHENOXYMETHYL/AA (66-85); Index Medicus search PHENETHICILLIN (63-84); RN given refers to (2S-(2alpha,5alpha,6beta))-isomer
penicillin;
penicillin allergen
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
3',4'-dimethoxy-alpha-naphthoflavone3',4'-dimethoxy-alpha-naphthoflavone: activated Ah receptor; structure in first source
kalafunginkalafungin: nanaomycin D from Streptomyces rosa & is enantiomer of kalafungin; RN given refers to (3aR-(3aalpha,5alpha,11balpha))-isomer; see also nanaomycin C; structure of kalafungin in first source; structure of nanaomycin in second source
N-butyl-1H-benzimidazol-2-aminebenzimidazoles
homoharringtonineHomoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.

omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia.
alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
methyl 3,4-dihydroxybenzoatecatechols;
methyl ester
antioxidant;
neuroprotective agent;
plant metabolite
2-(2,4-dichlorophenoxy)-N-(3-pyridinyl)acetamidedichlorobenzene
2-(3-nitrophenyl)-3,1-benzoxazin-4-onebenzoxazine
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)ureaureas
2-(2-oxolanylmethyl)benzo[de]isoquinoline-1,3-dioneisoquinolines
2-[[[4-(methylthio)anilino]-oxomethyl]amino]benzamideureas
u-104SLC-0111: a carbonic anhydrase inhibitor; structure in first source
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
6-Fluoro-1,3-benzothiazol-2-aminebenzothiazoles
hematoxylinhaematoxylin
2-(1-adamantyl)imidazoleimidazoles
rocaglamiderocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity.

rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound
antileishmanial agent;
antineoplastic agent;
metabolite
3',4',5'-trimethoxyflavone3',4',5'-trimethoxyflavone: structure in first sourceether;
flavonoids
medicarpin(-)-medicarpin : The (-)-enantiomer of medicarpin.medicarpinplant metabolite
sorbinilsorbinil : An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring.

sorbinil: aldose reductase inhibitor
azaspiro compound;
chromanes;
imidazolidinone;
organofluorine compound;
oxaspiro compound
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor
7-methoxycoumarin-4-acetic acidmonocarboxylic acidfluorochrome
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
1,3(2h,4h)-isoquinolinedione1,3(2H,4H)-isoquinolinedione: structure in first source
niguldipine hydrochloride
5-demethylnobiletin5-demethylnobiletin: antineoplastic from Citrus plants; structure in first sourceether;
flavonoids
cercosporincercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora.

cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants
4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acidtrihydroxyanthraquinone
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-Hydroxy-7-methoxy-6-methylflavoneether;
flavonoids
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
2,5-bis(5-hydroxymethyl-2-thienyl)furanthiophenes
diba-1DIBA-1: structure given in first source
nsc 663284NSC 663284: structure in first sourcequinolone
nsc668394
taurochenodeoxycholic acidtaurochenodeoxycholate : An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.

taurochenodeoxycholic acid : A bile acid taurine conjugate of chenodeoxycholic acid.

Taurochenodeoxycholic Acid: A bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed. It is used as a cholagogue and choleretic.
bile acid taurine conjugatehuman metabolite;
mouse metabolite
nsc681152
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavirritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.

Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
aglafolineaglafolin : A heterotricyclic compound based on a 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a and methoxy groups at C-6 and C-8. A platelet aggregation inhibitor found in Aglaia elliptifolia and Aglaia odorata.

aglafoline: a platelet activating factor antagonist; structure given in first source; isolated from Aglaia elliptifolia
methyl ester;
organic heterotricyclic compound
metabolite;
platelet aggregation inhibitor
nu 6027
meridianin gmeridianin G: from the tunicate Aplidium meridianum; structure in first source
5-iodoindirubin-3'-monoxime5-iodoindirubin-3'-monoxime: inhibits GSK-3beta
1-hydroxy-2,1-benzoxaborole1-hydroxy-2,1-benzoxaborole : A member of the class of benzoxaboroles that is 2,1-benzoxaborole in which the hydrogen attached to the boron atom is replaced by a hydroxy group.benzoxaborole
tryptoquivalinefumitremorgin C : An organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi. A potent and specific inhibitor of the breast cancer resistance protein multidrug transporter.aromatic ether;
indole alkaloid;
organic heteropentacyclic compound
breast cancer resistance protein inhibitor;
mycotoxin
mequindoxMequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source
7-(4-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidinemethoxybenzenes
nexavarorganosulfonate salt
4-2-Aminoethyl-morpholinemorpholines
(2-(4-methoxyphenyl)-4-quinolinyl)(2-piperidinyl)methanol(2-(4-methoxyphenyl)-4-quinolinyl)(2-piperidinyl)methanol: reverses multidrug resistance; NSC 23925b is an isomer. structure in first source
5-amino-8-hydroxyquinoline5-amino-8-hydroxyquinoline: structure in first source
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
carboplatin
n,n-dimethyldaunorubicin
2H-pyrazolo[4,3-b]quinoxalin-3-aminequinoxaline derivative
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
5'-methylthioadenosine5'-methylthioadenosine: structure

5'-S-methyl-5'-thioadenosine : Adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group.
thioadenosinealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
5'-deoxyadenosine5'-deoxyadenosine : A 5'-deoxyribonucleoside compound having adenosine as the nucleobase.

5'-deoxyadenosine: main heading DEOXYADENOSINE refers to the 3' cpd
5'-deoxyribonucleoside;
adenosines
Escherichia coli metabolite;
human metabolite;
mouse metabolite
n-acetylneuraminic acidN-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl.

N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)
N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite
bradykininoligopeptidehuman blood serum metabolite;
vasodilator agent
carnosinepolaprezinc: stimulates bone growthamino acid zwitterion;
dipeptide
anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
naringenin(S)-naringenin : The (S)-enantiomer of naringenin.(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
n-acetyllactosamineN-acetyllactosamine : A beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre.

N-acetyllactosamine: RN given refers to D-isomer
beta-D-Galp-(1->4)-D-GlcpNAc
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
galactosealpha-D-galactoside : Any D-galactoside having alpha-configuration at its anomeric centre.D-galactopyranosemouse metabolite
cysteinylglycinecysteinylglycine: RN given refers to (L)-isomer; RN for cpd without isomeric designation not in Chemlne 7/13/83

L-cysteinylglycine : A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism.
dipeptide;
dipeptide zwitterion
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
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
salicinaromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
scopolinbeta-D-glucoside;
coumarins;
monosaccharide derivative
plant metabolite
amastatinamastatin : A tetrapeptide comprising (2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl, L-valyl, L-valyl and L-aspartic acid units joined in sequence

amastatin: structure; inhibits aminopeptidase
tetrapeptideEC 3.4.11.* (aminopeptidase) inhibitor;
protease inhibitor
D-leucineD-alpha-amino acid;
D-alpha-amino acid zwitterion;
leucine
bacterial metabolite;
Saccharomyces cerevisiae 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
mandelic acid, (s)-isomer(2S)-2-hydroxy monocarboxylic acid;
mandelic acid
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
pentostatinpentostatin : A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.

Pentostatin: A potent inhibitor of ADENOSINE DEAMINASE. The drug induces APOPTOSIS of LYMPHOCYTES, and is used in the treatment of many lymphoproliferative malignancies, particularly HAIRY CELL LEUKEMIA. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity.
coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
taurolithocholic acidtaurolithocholic acid : The bile acid taurine conjugate of lithocholic acid.

Taurolithocholic Acid: A bile salt formed in the liver from lithocholic acid conjugation with taurine, usually as the sodium salt. It solubilizes fats for absorption and is itself absorbed. It is a cholagogue and choleretic.
bile acid taurine conjugate;
monocarboxylic acid amide
human metabolite
N-malonylanthranilic aciddicarboxylic acid monoamide
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
adenosine 5'-phosphoramidateadenosine 5'-phosphoramidate : The phosphoramadite analogue of AMP.organic phosphoramidateMycoplasma genitalium metabolite
Tautomycincarboxylic ester
cortodoxone11-deoxycortisol : A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen.

Cortodoxone: 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
human metabolite;
mouse metabolite
eriodictyoleriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.

eriodictyol: structure
3'-hydroxyflavanones;
tetrahydroxyflavanone
pelargonidinpelargonidin : An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'.

pelargonidin: influences flower phenotype
5-hydroxyanthocyanidinplant metabolite
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
meropenemmeropenem : A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively.

Meropenem: A thienamycin 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 bacterial infections, including infections in immunocompromised patients.
alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide
antibacterial agent;
antibacterial drug;
drug allergen
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
abacavirabacavir : A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection.

abacavir: a carbocyclic nucleoside with potent selective anti-HIV activity
2,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
epiandrosteroneepiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17.17-oxo steroid;
3beta-hydroxy steroid;
androstanoid
androgen;
human metabolite
perindopril erbumineaddition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
miglitolpiperidines
amiodarone hydrochloridearomatic ketone
mometasone furoateMometasone Furoate: A pregnadienediol derivative ANTI-ALLERGIC AGENT and ANTI-INFLAMMATORY AGENT that is used in the management of ASTHMA and ALLERGIC RHINITIS. It is also used as a topical treatment for skin disorders.11beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester
anti-allergic agent;
anti-inflammatory drug
dicyclomine hydrochloridedicyclomine hydrochloride : The hydrochloride salt of dicyclomine. An anticholinergic, it is used to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.hydrochlorideantispasmodic drug;
muscarinic antagonist
rocuronium bromiderocuronium bromide : The organic bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.organic bromide salt;
quaternary ammonium salt
muscle relaxant;
neuromuscular agent
nortriptyline hydrochlorideorganic tricyclic compoundgeroprotector
erythromycin estolateErythromycin Estolate: A macrolide antibiotic, produced by Streptomyces erythreus. It is the lauryl sulfate salt of the propionic ester of erythromycin. This erythromycin salt acts primarily as a bacteriostatic agent. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.aminoglycoside sulfate salt;
erythromycin derivative
enzyme inhibitor
terconazole(2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively.

terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida).

terconazole: structure & RN for (cis)-isomer from first source
1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
linezolidacetamides;
morpholines;
organofluorine compound;
oxazolidinone
antibacterial drug;
protein synthesis inhibitor
(S)-bicalutamide(S)-bicalutamide : A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide.N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
cyanidin 3-o-beta-d-glucopyranosidecyanidin 3-O-beta-D-glucoside : An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3.anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative
metabolite
buclizineluteolinidin: structure in first source5-hydroxyanthocyanidin
peonidinpeonidin : An anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4', 5 and 7 as well as a methoxy substituent at position 3'.

peonidin: a COX-2 inhibitor with protein kinase inhibitory and phytogenic antineoplastic activities; RN given for chloride salt
5-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite
petunidinpetunidin : An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'.

petunidin: RN given for chloride salt
5-hydroxyanthocyanidinplant metabolite
micheliolidemicheliolide: has antineoplastic activity; structure in first sourcesesquiterpene lactone
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
ochratoxin aochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.

ochratoxin A: structure in first source & in Merck, 9th ed, #6549
isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative
Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent
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
gluco-obtusifolingluco-obtusifolin: isolated from Cassia obtusifolia; structure in first sourceanthraquinone
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
ononin4'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
monosaccharide derivative
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
acetylleucyl-leucyl-norleucinalacetylleucyl-leucyl-norleucinal : A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence.

acetylleucyl-leucyl-norleucinal: a proteasome inhibitor
aldehyde;
tripeptide
cysteine protease inhibitor
adenosine-5'-carboxaldehyde5'-dehydroadenosine : A member of the class of adenosines that is 5'-dehydro derivative of adenosine.

adenosine-5'-carboxaldehyde: potent inhibitor of S-adenosyl-L-homocysteine hydrolase; structure given in first source
adenosines
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
pifithrin-betapifithrin-beta: condensation product of pifithrin-alpha; structure in first sourceimidazoles
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
L-isoprenalineL-isoprenaline : An optically active phenylethanolamine compound having an isopropyl substituent attached to the nitrogen atom.catecholamine;
phenylethanolamines
beta-adrenergic agonist;
sympathomimetic agent
sc 57666stilbenoid
devazepidedevazepide : An indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders.

Devazepide: A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding.
1,4-benzodiazepinone;
indolecarboxamide
antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
candoxatrilatcandoxatrilat : A dicarboxylic acid monoamide obtained by formal condensation between the amino group of cis-4-aminocyclohexanecarboxylic acid and the cyclopentanecarboxylic acid group of 1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentanecarboxylic acid. A potent inhibitor of neutral endopeptidase (NEP, neprilysin, EC 3.4.24.11), it is used as its 2,3-dihydro-1H-inden-5-yl ester prodrug in the treatment of chronic heart failure.

candoxatrilat: USAN lists candoxatrilat (UK-73,967) with RN 123122-54-3
chloramphenicol palmitatechloramphenicol palmitate: RN given refers to ((R-(R*,R*))-isomer)hexadecanoate ester
clindamycin phosphate
sb 228357SB 228357: a neuroleptic with equivalent or higher antagonist affinity for 5-HT2 than for dopamine D2 receptorindolyl carboxylic acid
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
pemirolast potassium salt
mepirodipinemepirodipine: RN & structure given in first source; RN refers to (S,S)-isomerdihydropyridine
eplerenoneEplerenone: A spironolactone derivative and selective ALDOSTERONE RECEPTOR antagonist that is used in the management of HYPERTENSION and CONGESTIVE HEART FAILURE, post-MYOCARDIAL INFARCTION.3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester
aldosterone antagonist;
antihypertensive agent
ergonovineergometrine : A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.

Ergonovine: An ergot alkaloid (ERGOT ALKALOIDS) with uterine and VASCULAR SMOOTH MUSCLE contractile properties.
ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
diagnostic agent;
fungal metabolite;
oxytocic;
toxin
doxorubicin hydrochlorideanthracycline
halcinonideHalcinonide: A glucocorticoid used topically in the treatment of DERMATITIS; ECZEMA; or PSORIASIS. It may cause skin irritation.organic molecular entitySMO receptor agonist
metrizamideMetrizamide: A solute for density gradient centrifugation offering higher maximum solution density without the problems of increased viscosity. It is also used as a resorbable, non-ionic contrast medium.amino sugar
oxendoloneorganic molecular entity
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
amcinonideamcinonide: structure11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal
anti-inflammatory drug
flumethasone pivalateflumethasone pivalate: structure11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone
anti-inflammatory drug;
antipruritic drug
tibolonetibolone : Estran-3-one with a double bond between positions 5 and 10, and bearing both an ethynyl group and a hydroxy group at position 17 (R-configuration). A synthetic steroid hormone drug which acts as an agonist at all five type I steroid hormone receptors, it is used in the prevention of postmenopausal osteoporosis and for treatment of endometriosis.

tibolone: used in prevention of postmenopausal osteoporosis
17beta-hydroxy steroid;
terminal acetylenic compound
bone density conservation agent;
hormone agonist
ao 128AO 128: alpha-glucosidase inhibitor; structure given in first sourceorganic molecular entity
loteprednol etabonateLoteprednol Etabonate: An androstadiene derivative corticosteroid that is used as an ANTI-ALLERGIC AGENT for the treatment of inflammatory and allergic eye conditions.11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester
anti-inflammatory drug
fluticasone propionatefluticasone propionate : A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity.11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester
adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug
sdz 283-910SDZ 283-910: structure in first source
acarboseamino cyclitol;
glycoside
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
acetyl coenzyme aAcetyl Coenzyme A: Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent.acyl-CoAacyl donor;
coenzyme;
effector;
fundamental 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
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
cp 320626CP 320626: structure in first source
2-(oxaloamino)benzoic acid(oxaloamino)benzoic acid
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
equileninequilenin : A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women.

Equilenin: An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.
17-oxo steroid;
3-hydroxy steroid
antioxidant;
mammalian metabolite
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
n-acetylneuraminic acidN-acetyl-beta-neuraminic acid : N-Acetylneuraminic acid with beta configuration at the anomeric centre.N-acetylneuraminic acidepitope
2,5-dideoxy-2,5-imino-d-glucitol2,5-dideoxy-2,5-imino-D-glucitol: structure in first source
bms 195614BMS 195614 : A carboxamide resulting from the formal condensation of the carboxy group of 5,5-dimethyl-8-(quinolin-3-yl)-5,6-dihydronaphthalene-2-carboxylic acid with the amino group of p-aminobenzoic acid. It is a neutral retinoic acid receptor (RAR) alpha-selective antagonist (Ki = 2.5 nM). It displays no significant effect on nuclear receptor corepressor (NCoR) binding; moderately decreases SMRT binding to RAR. It antagonizes agonist-induced coactivator (CoA) recruitment.benzoic acids;
quinolines;
secondary carboxamide
retinoic acid receptor alpha antagonist
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
phosphonoacetohydroxamatephosphonoacetohydroxamic acid : The hydroxamate of phosphonoacetic acid.hydroxamic acid;
organic phosphonate
rwj 37947
bms 961
3-(3-pyridyl)-1-propyl-(2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate
4-amino-2-deoxy-2,3-didehydro-n-acetylneuraminic acid
alpha-D-fructofuranose 1,6-bisphosphatealpha-D-fructofuranose 1,6-bisphosphate : A D-fructofuranose 1,6-bisphosphate with an alpha-configuration at the anomeric position.D-fructofuranose 1,6-bisphosphate
palmitoleic acidhexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.hexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite
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
tacrolimustacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis.

Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro.
macrolide lactambacterial metabolite;
immunosuppressive agent
om99-2OM99-2: eight-residue memapsin 2 inhibitor; structure in first source
leucine phosphonic acidleucine phosphonic acid: a leucine aminopeptidase antagonist; structure given in first source
ferulic acidferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
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
sc 58272SC 58272: inhibits myristoyl-CoA:protein N-myristoyltransferase; structure given in first source
cgs 27023aCGS 27023A: a matrix metalloproteinase inhibitor
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
validaminevalidamine : An amino cyclitol consisting of 1D-chiro-inositol lacking the 6-hydroxy group and having those at positions 1 and 5 replaced by amino and hydroxymethyl groups respectively.

validamine: RN given from CA Index Guide; RN not in Chemline 11/84; structure given in first source
amino cyclitol
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
valine-pyrrolididevaline-pyrrolidide: structure given in first source
apstatinapstatin: inhibits aminopeptidase P; structure given in first source
isofagominepiperidines
phenylalanyl-prolyl-arginineoligopeptide
pd 166326PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor
gw 3965GW 3965: a liver X receptor liganddiarylmethane
t0901317T0901317: an LXRalpha and LXRbeta agonist
epothilone bepothilone;
epoxide
antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)ureaN-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source
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
methylproaminemethylproamine: a radioprotective agent; structure in first source
adenosine-5'-(n-ethylcarboxamide)Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.

N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.
adenosines;
monocarboxylic acid amide
adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
mln 47602-(1-carboxy-2-(3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl)ethylamino)-4-methylpentanoic acid: MLN-4760 is the (S,S)-isomer; an ACE2 inhibitor; structure in first source

MLN-4760 : A L-histidine derivative that is L-histidine in which a hydrogen of the primary amino group is substituted by a (1S)-1-carboxy-3-methylbutyl group and the ring NH group is substituted by a 3,5-dichlorobenzyl group. It is a potent and selective human angiotensin-converting enzyme 2 (ACE2) inhibitor (IC50 = 0.44 nM) which was in clinical development for the treatment of ulcerative colitis.
dichlorobenzene;
L-histidine derivative;
L-leucine derivative
anti-inflammatory agent;
EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor
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
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine : A member of the class of 6-aminopurines that is 2-fluoroadenine carrying additional 2-chloro-3,4,5-trimethoxybenzyl and pent-4-yn-1-yl substituents at positions 8 and 9 respectively.6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound
antineoplastic agent;
Hsp90 inhibitor
purvalanol bpurvalanol B: protein kinase inhibitor; structure in first sourcepurvalanolprotein kinase inhibitor
arl 17477
gamma-glutamyl hydroxamateglutamine hydroxamate : A hydroxamic acid that is L-glutamine hydroxylated at N-5.amino acid zwitterion;
glutamic acid derivative;
hydroxamic acid
roflumilastaromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound
anti-asthmatic drug;
phosphodiesterase IV inhibitor
h 89(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.

N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source

N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
4-phospho-d-erythronohydroxamic acid
4-phosphoerythronate4-phospho-D-erythronic acid : The D-enantiomer of 4-phosphoerythronic acid.

4-phosphoerythronate: inhibits ribose-5-phosphate isomerase
4-phosphoerythronic acidEscherichia coli metabolite;
mouse metabolite
gs 4071GS 4071: The acid form.

oseltamivir acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza.
acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite
decitabine2'-deoxyribonucleoside
1,4-dideoxy-1,4-imino-d-arabinitol
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
trimethylcolchicinic acid
valrubicinanthracycline;
trifluoroacetamide
12-deoxyphorbol 13-acetatephorbol estermetabolite
3'-deamino-3'-hydroxydoxorubicin3'-deamino-3'-hydroxydoxorubicin: substitution of the basic amino group at the C-3' of doxorubicin by a hydroxyl group overcomes recognition of the multidrug resistant P-glycoprotein and limits cardiotoxicity; structure given in first source
visnadin
pa 824pretomanid: nitroimidazopyran derived from 5-nitroimidazoles; a prodrug that requires activation by a bacterial F420-depedent glucose-6-phosphate dehydrogenase (Fgd) and nitroreductase to activate components that then inhibit bacterial mycolic acid and protein synthesis; structure in first source
ketoconazole(2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
purvalanol a6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;purvalanol
cefamandolecefamandole : A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups.

Cefamandole: Semisynthetic wide-spectrum cephalosporin with prolonged action, probably due to beta-lactamase resistance. It is used also as the nafate.
cephalosporin;
semisynthetic derivative
antibacterial drug
diclazurilnitrile
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
5-benzimidazolecarboxylic acid5-benzimidazolecarboxylic acid: structure in first source
2-methyladenosine2-methyladenosine : A methyladenosine in which the methyl group is located at position 2 on the adenine ring.methyladenosine
melphalanmelphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.

Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-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
tenofovirtenofovir (anhydrous) : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection.nucleoside analogue;
phosphonic acids
antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
u 100480U 100480: structure given in first source
krh 1636KRH 1636: structure in first source
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
6-bromoflavone6-bromoflavone: a high affinity ligand for the central benzodiazepine receptors; structure given in first source
Epigallocatechin 3,5-Digallatecatechin
posaconazolearomatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles
trypanocidal drug
ganoderic acid atriterpenoid
aspartyl-aspartic acidAsp-Asp : A dipeptide formed from two L-aspartic acid units.

aspartyl-aspartic acid: do not confuse with cyclo(Asp-Asp)
dipeptideMycoplasma genitalium metabolite
rubitecanrubitecan : A pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin.

rubitecan: RN refers to (+-)-isomer; anti-HIV agent; DNA Topoisomerases, Type I inhibitor
C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
(2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl esterphenylalanine derivative;
tert-butyl ester
meso-dihydroguaiaretic acidmeso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta.guaiacols;
lignan
plant metabolite
terameprocollignan
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
6,8-diprenylgenistein5,7,4'-trihydroxy-6,8-diprenylisoflavone : A member of the class of 7-hydroxyisoflavones that is genistein substituted by prenyl groups at positions 6 and 8. It has been isolated from Derris scandens and Glycyrrhiza uralensis.

6,8-diprenylgenistein: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source
7-hydroxyisoflavonesantibacterial agent;
plant metabolite
kazinol bkazinol B: a natural isoprenylated flavan
2-methyl-5-(4-methylanilino)-1,3-benzothiazole-4,7-dioneaminotoluene
amd 8664
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
egonolegonol : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a methoxy group at position 7, a 1,3-benzodioxol-5-yl group at position 2 and a 3-hydroxypropyl group at position 5. It has been isolated from Styrax agrestis.1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol
plant metabolite
abt 492WQ 3034: structure in first source
efinaconazoleefinaconazole : A member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes).

efinaconazole: an antifungal agent; structure in first source
conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
moronic acidmoronic acid : A pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group.

moronic acid: from root bark extract of Ozoroa mucronata; RN & N1 from 9th CI
pentacyclic triterpenoidanti-HIV agent;
anti-HSV-1 agent;
metabolite
morolic acidmorolic acid: from Pistacia terebinthus galls; structure in first source
mg 262MG 262: a proteasome inhibitor
9-(2',3'-dihydroxycyclopent-4'-enyl)adenine
bay 57-1293pritelivir: herpes simplex virus 1 helicase-primase inhibitor
6-methyl-2-[(4-nitrophenyl)methylthio]-1H-benzimidazolebenzimidazoles
5,7,3',4',5'-pentamethoxyflavone5,7,3',4',5'-pentamethoxyflavone: antineoplastic agent that reverses P-glycoprotein-mediated multidrug resistance; 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
n-nonyl-1-deoxynojirimycinN-nonyldeoxynojirimycin : A hydroxypiperidine that is deoxynojirimycin (duvoglustat) in which the amino hydrogen is replaced by a nonyl group.hydroxypiperidine;
tertiary amino compound
antiviral agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.2.1.45 (glucosylceramidase) inhibitor
rubrofusarin gentiobiosiderubrofusarin gentiobioside: isolated from seeds of Cassia tora; structure in first source
bx 471BX 471: a CC chemokine receptor-1 antagonist; structure in first source
isoxanthohumolisoxanthohumol: structure in first sourceflavanones
pl 100PL 100: inhibits HIV-1 protease; structure in first source
1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamideindolecarboxamideanticoronaviral agent
sodium thiocyanatesodium thiocyanate : An organic sodium salt which is the monosodium salt of thiocyanic acid.

sodium thiocyanate: RN given refers to thiocyanic acid, Na salt
organic sodium salt
sodium bicarbonateSodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.one-carbon compound;
organic sodium salt
antacid;
food anticaking agent
sodium acetate, anhydrousSodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.organic sodium saltNMR chemical shift reference compound
sodium benzoatesodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.

Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.
organic sodium saltalgal 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
sodium cyanatesodium cyanate: used in treatment of sickle cell anemia; RN given refers to cyanic acid, Na saltcyanate salt;
one-carbon compound
n-desmethylflunitrazepamN-desmethylflunitrazepam: metabolite of flunitrazepam
IPA-3IPA-3 : An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol.naphthols;
organic disulfide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
dipyroneDipyrone: A drug that has analgesic, anti-inflammatory, and antipyretic properties. It is the sodium sulfonate of AMINOPYRINE.

metamizole sodium : An organic sodium salt of antipyrine substituted at C-4 by a methyl(sulfonatomethyl)amino group, commonly used as a powerful analgesic and antipyretic.
organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
sodium perchloratesodium perchlorate : An inorganic sodium salt comprising equal numbers of sodium and perchlorate ions.inorganic sodium salt
potassium fluoridepotassium fluoride : A fluoride salt having K+ as the counterion.fluoride salt;
potassium salt
NMR chemical shift reference compound;
poison
ro 05-4082ID 690: methyl deriv of clonazepam; structure
ditiocarb sodiumorganic molecular entity
jp-1302
3-methoxycinnolinecinnolines
ethyl 2-oxo-4-phenylbutyrateethyl 2-oxo-4-phenylbutyrate: structure in first source
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first sourcearomatic ether
LSM-42773aromatic ketone
bd 1063primary amine
2-(2-phenoxyethylsulfonyl)-1H-benzimidazolebenzimidazoles;
sulfoxide
ck-0944636CK-0944636: structure in first source
ck-0944666CK-0944666: structure in first source

CK-666 : A member of the class of indoles that is 2-methyltryptamine in which a hydrogen attached to the primary amino group has been replaced by a 2-fluorobenzoyl group. It is a cell-permeable inhibitor of actin assembly mediated by actin-related protein Arp2/3 complex which works by binding to Arp2/3 complex, stabilising the inactive state of the complex and preventing its movement into the active conformation.
benzamides;
indoles;
organofluorine compound
actin polymerisation inhibitor
2-[[(6-bromo-1H-benzimidazol-2-yl)thio]methyl]-1-methylbenzimidazolebenzimidazoles
7-(4-(tert-butyl)benzyl)-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione7-(4-(tert-butyl)benzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione: an activator of Kir6.2/SUR1; structure in first source
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazoliminedimethoxybenzene
1-(5H-dibenzo[b,f]azepin-5-yl)ethan-1-onedibenzooxazepine
hei 713
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-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd
1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
idarubicin hydrochlorideanthracycline
safrazine hydrochloridebenzodioxoles
tenatoprazoleTenatoprazole: structure in first sourceimidazopyridine
hydroxyphenethylferulatehydroxyphenethylferulate: from the roots of Atropa acuminata (Solanaceae); structure in first sourcehydroxycinnamic acid
hirsutanonehirsutanone: from methanolic extract of the aerial parts of Viscum cruciatum (Viscaceae)diarylheptanoid
elaidic acidoctadec-9-enoic acidfood component
2-hydroxycinnamic acid2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring.

trans-2-coumaric acid : The trans-isomer of 2-coumaric acid.
2-coumaric acid;
phenols
antioxidant;
metabolite
3-coumaric acid3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring.

3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline

trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.
3-coumaric acid
trans-4-coumaric 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
anetholeanethole : A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.

anethole: an isomer of estragole; structurally similar to CAPSAICIN; has some neurological and insecticidal and skin absorption effects; RN given refers to unspecified stereoisomer

trans-anethole : The trans-stereoisomer of anethole.
anetholeflavouring agent
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
teucrolteucrol: from Teucrium pilosum; structure in first source
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
delta-8-tetrahydrocannabinol1-benzopyran
retinol acetateretinol acetate: structure given in first sourceacetate ester
squaleneAddavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleatetriterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2'-hydroxychalcone2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'.chalcones;
phenols
anti-inflammatory agent
2,2'-dihydroxychalcone2,2'-dihydroxychalcone: an antineoplastic agent; structure in first source
isoliquiritigeninchalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanonearomatic ketone
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
2,4,4'-trihydroxydeoxybenzoin2,4,4'-trihydroxydeoxybenzoin: structure in first source
dibenzylidene acetonedibenzylidene acetone: structure in first source
cardamonincardamonin: found in Zingiberaceae; structure in first sourcechalcones
4'-methoxychalcone4'-methoxychalcone: RN given refers to compound with no isomeric designationchalcones
Methylenedioxycinnamic acidhydroxycinnamic acid
(R)-(+)-sulpiride(R)-(+)-sulpiride : An optically active form of sulpiride having (R)-configuration. The active enantiomer of the racemic drug sulpiride.sulpiride
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
arginine vasopressinArginine Vasopressin: The predominant form of mammalian antidiuretic hormone. It is a nonapeptide containing an ARGININE at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. Arg-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE.

argipressin : The predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6.
vasopressincardiovascular drug;
hematologic agent;
mitogen
sea 0400SEA 0400: structure in first source
pyrophosphateDiphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.diphosphate ion
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
calmidazoliumcalmidazolium chloride : The organic choride salt of calmidazolium.organic chloride saltapoptosis inducer;
calmodulin antagonist
triiodothyronine, reverse3,3',5'-triiodothyronine;
amino acid zwitterion
bz-423
3-(4-pyridyl)-1h-indole3-(4-pyridyl)-1H-indole: structure in first sourceindoles
6-amino-2-methyl-8-phenyl-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrilearalkylamine
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamideorganonitrogen compound;
organooxygen compound
1-[4-[4-[(4-methylphenyl)methylamino]phenyl]-1-piperazinyl]ethanonearomatic amine
3-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylpropanamidebenzoxazole
2-[(4-phenylphenyl)sulfonylamino]pentanedioic acidglutamic acid derivative
2-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-onepiperazines
2-[3-[3-[3-(1-imidazolyl)propyl]-4-oxo-2-quinazolinyl]propyl]isoindole-1,3-dionephthalimides
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanolbenzimidazoles
N-(3H-benzimidazol-5-yl)-2-furancarboxamidebenzimidazoles
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamidetetrazoles
3-chloro-1-cyclohexyl-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dionemaleimides;
piperazines
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamidearomatic amide;
furans
3-amino-5-methoxy-2-benzofurancarboxylic acid methyl esterbenzofurans
N-[4-chloro-2-[(2,4-dimethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamidebenzamides
N,N-dimethyl-6-phenyl-3-pyridazinaminepyridazines;
ring assembly
N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamidesulfonamide
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dioneoxopurine
2-(1,3-benzodioxol-5-ylamino)-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamideamino acid amide
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
5-(4-propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazolepyridines
4-[2-[1-(4-methoxyphenyl)sulfonyl-2-benzimidazolyl]ethyl]morpholinesulfonamide
2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazolebenzimidazoles
2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-oneheteroarene
N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-4-oxo-4-(1-piperidinyl)butanamideimidazoles
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethyl-2-pyrrolidinyl)methyl]-3-(2-methoxyphenyl)ureaquinolines
N-(1,3-benzodioxol-5-yl)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfinylacetamidebenzodioxoles
N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
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
2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl esteraryl sulfide
N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2-furancarboxamidearomatic amide;
furans
1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinolinequinolines
2-[(3-ethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamidequinolines
N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamideamidobenzoic acid
4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
1-[4-[4-[(phenylmethyl)amino]phenyl]-1-piperazinyl]ethanonearomatic amine
N-(3-dibenzofuranyl)-4-morpholinecarboxamidedibenzofurans
N-[1-(2-methoxyphenyl)-5-benzimidazolyl]benzenesulfonamidebenzimidazoles
N-[1-[4-(4-methylphenyl)-2-thiazolyl]-4-piperidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidebenzodioxine
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-methoxyphenyl)sulfonylpiperazinesulfonamide
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
3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]ureaquinolines
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-onequinolines
6-amino-4-(2,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrilepyranopyrazole;
ring assembly
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
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diaminedialkylarylamine;
tertiary amino compound
1-[3-(dimethylamino)propyl]-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)ureaquinolines
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrilephenols
2-[(4-fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrileoxazole
3-[(2-fluorophenyl)methyl]-5-propyl-N-(pyridin-4-ylmethyl)-7-triazolo[4,5-d]pyrimidinaminetriazolopyrimidines
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
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamidebenzothiazoles
[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
[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-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamidebenzothiazoles
4-methyl-N-(2-methyl-5-tetrazolyl)benzamidebenzamides
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamidearomatic amide;
furans
8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dioneoxopurine
6-[(2-fluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
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
3-(4-methoxyphenyl)-8-(6-methyl-2-phenyl-4-pyrimidinyl)-8-azabicyclo[3.2.1]octan-3-olazabicycloalkane
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
N-[2-(4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]-2-furancarboxamidepeptide
N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamideanilide
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamideimidazoles
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
trilostanetrilostane : An epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions.

trilostane: inhibits conversion of pregnenolone to progesterone; adrenal blocking agent used in treatment of Cushing's syndrome
17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile
abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
bucillamineorganic molecular entity
omapatrilatomapatrilat: structure in first sourcedipeptide
polidocanolpolidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group.

Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS.
hydroxypolyetherhepatotoxic agent;
nonionic surfactant;
sclerotherapy agent
benidipine hydrochloride
Reactive blue 2anthraquinone
(2'-(benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide)biphenyls
hydrastine, (r-(r*,s*))-isomerisoquinolines
l 364373benzodiazepine
uk 78282diarylmethane
chloramphenicol succinate sodium
erb 041ERB 041: an estrogen receptor beta agonist; structure in first source
cyclic nucleotide phosphodiesterases, type 4
methylthio-dadme-immucillin-a
N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamidesulfonamide
leuprolide acetateleuprolide acetate : An acetate salt obtained by combining the nonapeptide leuprolide with acetic acid. A long lasting GnRH analog, LH-Rh agonist. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist
fludarabinepurine nucleoside
(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
n(6)-cyclopentyladenosine
1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-aminepyrroloquinoline
6,6,7-trimethyl-1-(4-morpholinyl)-3-(phenylmethylthio)-5,8-dihydro-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
LSM-16947pyranopyridine
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrilenitrile;
pyridines
3-(4-butyl-3,5-dimethyl-1-pyrazolyl)-5-methyl-[1,2,4]triazino[5,6-b]indoletriazinoindole
8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrilepiperazines;
pyridines
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
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanolaromatic ether
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-aminearomatic ether
2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]benzamideamidobenzoic acid
4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl esterquinoxaline derivative
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamidequinoxaline 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
4-[1-(4-hydroxyphenyl)ethenyl]phenoldiarylmethane
2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-phenylacetamideanilide
2-ethyl-1-[(2-methoxyphenyl)methyl]benzimidazolebenzimidazoles
2-(butan-2-ylamino)-N-[4-[5-[[2-(butan-2-ylamino)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamideamino acid amide
2-[(2-fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrileoxazole
5-bromo-3-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl esteramino acid amide
2-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethoxy]ethanolpyrazoles;
ring assembly
1-(3,5-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dionepyrrolidines
4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl esterpyrimidinecarboxylic acid
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl esterquinoxaline derivative
1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanonearomatic ketone
4-(2-furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-onepyrrolopyrazole
3-methyl-N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamidequinolines
6-[(2,4-dichlorophenoxy)methyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoletriazolothiadiazole
2-[5-[(2,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridinetriazoles
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl esterquinoxaline derivative
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidineN-arylpiperazine
4-(1H-benzimidazol-2-ylmethylthio)-2-methylbenzofuro[3,2-d]pyrimidinebenzimidazoles
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]onequinazolines
LSM-26505neoflavonoid
(4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanonearomatic ketone
2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile1,3-oxazoles
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
1-[(4-fluorophenyl)methyl]-3-(2-furanylmethyl)-4-imino-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-2-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
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
Glyceryl lactopalmitatepyrazoles;
ring assembly
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
3-(4-methoxyphenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoletriazolothiadiazole
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
N5,N5-dimethyl-2,1,3-benzoxadiazole-4,5-diaminebenzoxadiazole
1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamideorganonitrogen compound;
organooxygen compound
7-methyl-3-(3-methylbutylamino)-1-(1-pyrrolidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
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
N-[1-methyl-2-[2-(4-phenyl-1-piperazinyl)ethyl]-5-benzimidazolyl]-2-furancarboxamidepiperazines
7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dionepiperazines
2-methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidinepiperazines;
pyridines
5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamidepyrimidines
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
(3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(2,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dionepyrrolidines
3-(1,3-benzodioxol-5-ylmethyl)-4,10-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazolebenzodioxoles
N2-(4-fluorophenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diaminepiperazines;
pyridines
6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diaminebenzodioxoles
7-chloro-5-(4-morpholinyl)-2,1,3-benzoxadiazol-4-aminebenzoxadiazole
2-methoxy-1-(1-methyl-2-benzimidazolyl)-1-phenylethanaminebenzimidazoles
2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazoletriazoles
1-(4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanonearomatic ketone
3-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-oneN-arylpiperazine
chlorprothixene(E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration.chlorprothixene
chlorprothixene(Z)-chlorprothixene : A chlorprothixene in which the double bond adopts a (Z)-configuration.

Chlorprothixene: A thioxanthine with effects similar to the phenothiazine antipsychotics.
chlorprothixene
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.
doxepin hydrochloride
etomidateetomidate : The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity.

Etomidate: Imidazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic.
ethyl ester;
imidazoles
intravenous anaesthetic;
sedative
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
methisazoneMethisazone: An antiviral agent effective against pox viruses.
methylthiouracilMethylthiouracil: A thiourea antithyroid agent that inhibits the synthesis of thyroid hormone. It is used in the treatment of hyperthyroidism.pyrimidone
etodolac, (-)-isomer(R)-etodolac : The R-enantiomer of etodolac. It is inactive, in contrast to the enantiomer, (S)-etodolac, which is a preferential inhibitor of cyclo-oxygenase 2 and a non-steroidal anti-inflammatory. The racemate is commonly used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain.etodolac
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
ag-213tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells;
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
3,4-methylenedioxy-beta-nitrostyrene3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source
1-(4-amino-2-methyl-3-quinolinyl)ethanoneaminoquinoline
N-[4-(diethylamino)phenyl]-2-furancarboxamidearomatic amide;
furans
benzoylacrylic acidbenzoylacrylic acid: structure in first source
thioinosineThioinosine: Sulfhydryl analog of INOSINE that inhibits nucleoside transport across erythrocyte plasma membranes, and has immunosuppressive properties. It has been used similarly to MERCAPTOPURINE in the treatment of leukemia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p503)
7,8,3'-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
ethyl coumarateethyl coumarate: structure in first sourcecinnamate ester
2-amino-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrilequinolines
4-methyl-N-[4-(4-morpholinyl)phenyl]benzamidebenzamides
N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamidethioureas
sch-202676SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamidearomatic amide
crotamiton
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
3,6-dihydroxyflavone3,6-dihydroxyflavone: induces apoptosis in leukemia HL-60 cells; structure in first source
6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-oneether;
flavonoids
3',4'-dimethoxyflavone
(2S)-7-hydroxyflavanone7-hydroxyflavanone
6-methylflavone6-methylflavone: structure in first source
caffeic acidtrans-caffeic acid : The trans-isomer of caffeic acid.caffeic acidgeroprotector;
mouse metabolite
methyl caffeatemethyl caffeate : An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol.

methyl caffeate: from plant Gaillardia pulchella
alkyl caffeate ester;
methyl ester
5-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thionetriazoles
2-methoxy-N-(2-pyridinyl)benzamidebenzamides
N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamidebenzoic acids
4-phenyl-N-(3-pyridinyl)-2-thiazolamineaminopyridine
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
4-methoxycinnamic acidcinnamic acids
alpha-phenylcinnamatealpha-phenylcinnamate: RN given refers to parent cpd
n-phenyl-n'-2-pyridylthioureaN-phenyl-N'-2-pyridylthiourea: structure in first source
1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazinepiperazines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamidebenzodioxine
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl estercoumarins;
isopropyl ester
1-[4-[(2-methyl-4-quinolinyl)amino]phenyl]ethanonearomatic ketone
1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl esterbenzodioxoles
2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanonemethylindole
ceefourin 1ceefourin 1: inhibits multidrug resistance protein 4; structure in first source
stf 62247STF 62247: has antineoplastic activity; structure in first sourcesubstituted aniline
2-mercaptobenzimidazole2-mercaptobenzimidazole: purine synthesis antimetabolite; RN given refers to parent cpd
4,6-dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrileN-acylpiperidine
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
2-mercaptobenzoxazolebenzoxazole
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
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazoliminemethoxybenzenes;
substituted aniline
N-(5-methyl-3-isoxazolyl)-1,3-benzodioxole-5-carboxamidebenzodioxoles
phenylthiazolylthioureaPhenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor.
1-ethyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]benzimidazolebenzimidazoles
vu0038882VU0038882: structure in first source
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamidebenzamides
LSM-34582anthracenes
N-(4-methoxyphenyl)-2-benzofurancarboxamidearomatic amide;
furans
(4-Methyl-2-oxochromen-7-yl) furan-2-carboxylatecoumarinsanticoronaviral agent
1-(4-chlorophenyl)-3-(4-sulfamoylphenyl)ureasulfonamide
isoferulic acidisoferulic acid : A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.

isoferulic acid: isomer of ferulic acid; structure
ferulic acidsantioxidant;
biomarker;
metabolite
2-amino-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
ethyl ferulateethyl ferulate: structure in first source
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
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] esterbenzoate ester;
phenols
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamineindoles
2-[[3-[(2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenolaralkylamine
3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] estertrihydroxybenzoic acid
N2,N4-ditert-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diaminediamino-1,3,5-triazine
nsc185058NSC185058: an ATG4B antagonist
2-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazolearyl sulfide
4-(benzenesulfonyl)-5-(ethylthio)-2-phenyloxazole1,3-oxazoles
N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamideimidazoles
vu0099704VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenolsubstituted aniline
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
4-phenyl-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinaminepyrimidines
4-(2-furanylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thionetriazoles
2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanonearomatic ketoneanticoronaviral agent
1-[(4-phenyl-1-piperazinyl)methyl]-2-naphthalenolpiperazines
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
[3-fluoro-4-(4-morpholinyl)phenyl]-(4-methylphenyl)methanonebenzophenones
N-(1-ethyl-5-benzimidazolyl)-4-methylbenzenesulfonamidesulfonamide
3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dionemaleimides
4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamidebenzimidazoles
nq301NQ301: structure in first source
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]-1-cyclohexanamineprimary amine
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenolaromatic amine
1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenolnaphthols
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazolearyl sulfide
3-amino-4-(4-chlorophenyl)-6-cyclopropyl-2-thieno[2,3-b]pyridinecarbonitrilephenylpyridine
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazinearomatic ether
9-ethyl-1,2,4,5-tetrazaspiro[5.5]undecane-3-thioneorganonitrogen heterocyclic compound
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinonequinolines
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thioureathioureas
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanonestilbenoid
8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thionebenzenes
5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamidearomatic amide;
furans
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinolinequinolines
2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) estercarboxylic ester
N-[[(2,4-dimethyl-8-quinolinyl)amino]-sulfanylidenemethyl]-4-methylbenzamidequinolines
6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-aminebenzoxazole
4-iodo-6-phenylpyrimidine4-iodo-6-phenylpyrimidine : A member of the class of pyrimidines carrying iodo and phenyl substituents at positions 4 and 6 respectively.

4-iodo-6-phenylpyrimidine: acts on macrophage migration inhibitory factor; structure in first source
biaryl;
organoiodine compound;
pyrimidines
antineoplastic agent;
apoptosis inducer;
macrophage migration inhibitory factor inhibitor
ethyl 2,4-dihydroxybenzoateethyl 2,4-dihydroxybenzoate: isolated from Artocarpus elasticus; structure in first source
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amineN-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a 4-methylphenyl group and a methyl(1-methylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively.piperidines;
quinazolines;
tertiary amino compound;
toluenes
2-methyl-N-(2-naphthalenyl)-3-furancarboxamidenaphthalenes
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)benzimidazoles
6-[amino(methyl)amino]-N2,N4-diethyl-1,3,5-triazine-2,4-diaminediamino-1,3,5-triazine
2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acidbenzamides
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-onepyrazoles;
ring assembly
N-(2-furanylmethyl)-1-(4-methoxyphenyl)-5-benzimidazolaminebenzimidazoles
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamidebenzothiazoles
n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamideN-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: Cardioprotective Agent; a small-molecule activator of aldehyde dehydrogenase-2 that reduces ischemic damage to the heartcarbonyl compound;
organohalogen compound
2-[[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]propanedinitrilesulfonamide
N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-(3-methylphenoxy)acetamidequinolines
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
3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thionetriazoles
4-(3-methylphenyl)-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thionetriazoles
3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thionetriazoles
4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thionebenzenes
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)ureabenzodioxine
1-[2-(2-chlorophenoxy)ethyl]benzimidazolebenzimidazoles
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamidesulfonamide
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamideindoles
2-[(2-chlorophenoxy)methyl]benzoic acidbenzoic acids
2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dionecyclic ketone;
indanones
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamidesulfonamide
isoeugenoltrans-isoeugenol : The trans-stereoisomer of isoeugenol.isoeugenolplant metabolite
5-[2-(6-hydroxy-3-methyl-2-benzofuranyl)-2-oxoethyl]-2-furancarboxylic acid ethyl esterbenzofurans
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamidequinazolines
5-(4-propan-2-ylphenyl)-2H-tetrazoletetrazoles
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source
1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamineaminoquinoline
1-ethyl-N-[(4-methoxyphenyl)methyl]-5-benzimidazolaminebenzimidazoles
4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenolpyrazoles;
ring assembly
3-anilino-1-(3-nitrophenyl)-1-propanonearomatic ketone
3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamidecarbonyl compound;
organohalogen compound
N-(1,3-benzodioxol-5-yl)-4-(4-morpholinylmethyl)benzamidebenzodioxoles
1-[(3-methylphenyl)methyl]benzimidazolebenzimidazoles
2-(2-phenylethylthio)-3-pyridinecarboxylic acidaromatic carboxylic acid;
pyridines
lupitidine
4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thionebenzenes
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamidesulfonamide
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl estermonocarboxylic acid
4-acetamidobenzoic acid (2-chlorophenyl)methyl esteramidobenzoic acid
(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanonetriazoles
1-cyclohexyl-3-(3-ethylphenyl)ureaureas
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamidearomatic amide
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazoleoxadiazole;
ring assembly
7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl estercoumarins
1-(cycloheptylideneamino)-3-(4-fluorophenyl)thioureaorganofluorine compound
4-methoxy-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamidebenzoic acids
N-(2-ethoxyphenyl)-1H-benzimidazol-2-aminebenzimidazoles
(3-amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanonebenzoic acids
7-acetoxycoumarin7-acetoxycoumarin: structure in first source
2-(4-methyl-1-piperazinyl)-6-phenyl-4-pyrimidinecarbonitrilepyrimidines
N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamidenaphthalenecarboxamide
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-oneC-nitro compound
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
thiothixeneN-methylpiperazineanticoronaviral agent
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-onequinolines
N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]ethanaminearyl sulfide
3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-onequinolines
1-(phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thioureathioureas
2-(2-ethoxyphenyl)-5,6-dimethyl-1,3-dihydroisoindoleisoindoles
eszopicloneeszopiclone : The (5S)- (active) enantiomer of zopiclone. Unlike almost all other hypnotic sedatives, which are approved only for the relief of short-term (6-8 weeks) insomnia, eszopiclone is approved by the U.S. Food and Drug Administration for long-term use.

Eszopiclone: A pyridine, pyrazine, and piperazine derivative that is used as a HYPNOTIC AND SEDATIVE in the treatment of INSOMNIA.
zopiclonecentral nervous system depressant;
sedative
dieldrindieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin.

Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB)
epoxide;
organochlorine compound;
organochlorine insecticide
carcinogenic agent;
xenobiotic
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
N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide
3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-methylbenzoic acidaromatic amide;
furans
4-(2-naphthalenyloxymethyl)-2-thiazolaminenaphthalenes
3-chloro-4-[(1-ethyl-2-benzimidazolyl)thio]anilinearyl sulfide
1-(1-naphthalenylmethoxy)benzotriazolenaphthalenes
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamidearomatic amide
5-(5-bromo-2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazoleoxadiazole;
ring assembly
1-[[(2-chlorophenyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thioureacarbonyl compound;
organohalogen compound
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamidesulfonamide
cct018159CCT-018159 : A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively.

CCT018159: structure in first source
benzodioxine;
pyrazoles;
resorcinols
antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
stf-31STF-31: antineoplastic
umi-77UMI-77: an Mcl-1 inhibitor; structure in first source
ica-121431ICA-121431: structure in first source
1-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(2,5-dimethylphenyl)thioureafuroic acid
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-onepyridochromene
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamideisoquinolines
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamidearomatic ether;
C-nitro compound
[3-amino-6-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinyl]-(3,4-dimethoxyphenyl)methanonediarylheptanoid
3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamidearomatic amide
(4-Methoxyphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methanonebenzodioxineanticoronaviral agent
1-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)ureanaphthalenes
5-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-furancarboxamidethioureas
N-[(3-acetylanilino)-sulfanylidenemethyl]-5-bromo-3-pyridinecarboxamidethioureas
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl esteraminoquinoline
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
2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenolsulfonamide
(4-anilino-1,1-dioxo-2H-1$l^{6},2-benzothiazin-3-yl)-phenylmethanonebenzothiazine
N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-(4-methoxyphenoxy)acetamidethioureas
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamidethioureas
2-[[benzamido(sulfanylidene)methyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acidCID1067700: a pan-GTPase inhibitor; structure in first sourcethienopyran
jk184JK184: 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
1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-naphthalenecarboxamidenaphthalenecarboxamide
N-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamidepiperazines
1,2,3,4-tetrahydroacridine-9-carboxylic acid (2-oxo-2-thiophen-2-ylethyl) esteracridines
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamidearomatic amide
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-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamidebenzimidazoles
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamidebenzimidazoles
5-(3-chlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamidearomatic amide;
heteroarene
N-[4-[[2-furanyl(oxo)methyl]amino]phenyl]-1,3-benzodioxole-5-carboxamidearomatic amide;
furans
1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanonearomatic ketone
N-(1-naphthalenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-aminenaphthalenes
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamideacetamides;
anilide
5-(4-methylphenyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
[4-(2-methoxyphenyl)-1-piperazinyl]-[5-(4-methylphenyl)-3-isoxazolyl]methanonepiperazines
N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
5-(4-bromophenyl)-1-methyl-N-(3-pyridinylmethyl)-2-imidazolamineimidazoles
N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamideimidazoles
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamidesulfonamide
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamidesulfonamide
ym-907092,3-dimethoxy-6,6-dimethyl-5,6-dihydrobenzo(7,8)indolizino (2,3-b)quinoxaline: structure in first sourcequinoxaline derivative
[4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanonediarylmethane
ptc-209PTC-209: inhibits BMI-1 protein; structure in first source
3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamidearomatic amide
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanaminebenzodioxoles
2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-methyl-N-(4-phenyl-2-thiazolyl)acetamidequinolines
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
N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamidearomatic amide;
furans
3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acidamidobenzoic acid
N-[2,5-diethoxy-4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]-4-methylbenzamidebenzamides
N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]-4-methoxybenzamidebenzamides
N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]benzamidebenzamides
(E)-4-Phenyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylic acidthiophenecarboxylic acidanticoronaviral agent
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
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinaminemorpholines
4-(5,6-dimethyl-1-benzimidazolyl)-5-phenylthieno[2,3-d]pyrimidineorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
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-(2-chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanonephenothiazines
N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-2-phenoxyacetamidenaphthalenes
5-(2,4-dichlorophenyl)-N-(4-methyl-2-thiazolyl)-2-furancarboxamidedichlorobenzene
3-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl esterquinolines
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamidequinolines
2',4',6'-Trihydroxydihydrochalconechalcones
2-(2,6-diisopropylphenyl)-5-amino-1h-isoindole-1,3-dione2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione: an antineoplastic agent; structure in first source
1-[[2-(3-bromo-4-methoxyphenyl)-1-oxoethyl]amino]-3-phenylthioureaacetamides
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinonemethoxybenzenes;
substituted aniline
3,5-dimethoxy-N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamidedimethoxybenzene
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
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
N-[(3-methoxyphenyl)methyl]-1-propyl-5-benzimidazolaminebenzimidazoles
(4-chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanonepiperazines;
pyridines
1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamidesulfonamide
LSM-33266indoles
N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-5-nitro-2-furancarboxamideisoflavonoid
N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamidethioureas
N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamidethioureas
1-[[4-(dimethylamino)phenyl]methyl]-1-(2-furanylmethyl)-3-(4-methoxyphenyl)thioureathioureas
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamidearomatic amide
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamidearomatic amide
6,8-dimethyl-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-2-(2-pyridinyl)-4-quinolinecarboxamidearomatic amide
2-(1-imidazolyl)-4-phenyl-6-(4-phenyl-1-piperazinyl)-1,3,5-triazinepiperazines
thiouracilthiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.

Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.
nucleobase analogue;
thiocarbonyl compound
antithyroid drug;
metabolite
thiohydantoinsThiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups.
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanonearomatic ether
2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidedimethoxybenzene
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine
2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamidethioureas
4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamidebenzamides
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamidebenzothiazoles
vu0405601VU0405601: reduces sensitivity of hERG to inhibition by multiple blockers and prevents arrhythmias; structure in first source
N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanamidequinolines
LSM-32435triazolopyrimidines
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamidesulfonamide
2-[[[3-methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acidbenzamides
4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl esteraromatic amide;
isopropyl ester;
secondary carboxamide
darunavir ethanolatephenothiazines
4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl esterbenzoate ester
[1-(2-phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethioneindoles
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamidesulfonamide
3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic aciddiarylmethane
3-(1-azepanylsulfonyl)-n-(3-bromphenyl)benzamide3-(1-azepanylsulfonyl)-N-(3-bromphenyl)benzamide: a sirtuin 2 inhibitor; structure in first source
2-chloro-5-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acidthioureas
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
1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morpholinyl)phenyl]thioureamorpholines
1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanonepiperazines
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamidearomatic ether
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-thiophenecarboxamidethioureas
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamideC-nitro compound
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
3-(3-oxo-2-benzo[f][1]benzopyranyl)-1-phenyl-4-pyrazolecarboxaldehydeorganic heterotricyclic compound;
organooxygen compound
N-(2,3-dimethylphenyl)-2-[[6-(1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamidephthalimides
N-cycloheptyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzamideamidobenzoic acid
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamidearyl sulfide
urb 597cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester: a fatty acid amide hydrolase inhibitor; structure in first sourcebiphenyls
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thionebenzothiazoles
5-(3-nitrophenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamidethioureas
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamidequinolines
5,6-dimethyl-2-[1-[[1-(phenylmethyl)-5-tetrazolyl]methyl]-4-piperidinyl]-1H-benzimidazolebenzimidazoles
2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanoneN-arylpiperazine
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanoneN-arylpiperazine
2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamidequinazolines
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-methoxyphenyl)-1-(3-pyridinylmethyl)thioureathioureas
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamidequinolines
N-(2,3-dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamideindanes
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]acetamideamino acid amide
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimineorganochlorine compound
7-(4-methoxyphenyl)-2-(1-pyrrolyl)-[1,2,4]triazolo[1,5-a]pyrimidinepyrimidines
4-[(4-chloro-1-naphthalenyl)oxy]-5-methoxy-2-(2-pyridinyl)pyrimidineorganonitrogen heterocyclic compound
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
N-[(4-methylphenyl)methyl]-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamideorganonitrogen heterocyclic compound
2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide(trifluoromethyl)benzenes
5-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazolethiazoles
3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinonearyl sulfide
3-phenyl-2H-1,4-benzoxazinebenzoxazine
2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dionesulfonamide
r-7050
1,1-bis(4-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]ethanoldiarylmethane
2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazoliniminequinazolines
5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamidearomatic amide;
furans
3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridinyl)amino]methyl]benzamidebenzoic acids
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
N-[4-(4-fluorophenyl)-2-thiazolyl]-4-methylbenzenesulfonamidesulfonamide
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
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.
zuclomipheneZuclomiphene: The cis or (Z)-isomer of clomiphene.stilbenoid
fluoxetine(S)-fluoxetine : An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine].N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-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
epalrestatepalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy.monocarboxylic acid;
thiazolidines
EC 1.1.1.21 (aldehyde reductase) inhibitor
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
bisabololsesquiterpenoid
cyqualon
tosylarginine methyl esterTosylarginine Methyl Ester: Arginine derivative which is a substrate for many proteolytic enzymes. As a substrate for the esterase from the first component of complement, it inhibits the action of C(l) on C(4).guanidines;
L-arginine ester;
methyl ester;
sulfonamide
idrocilamideidrocilamide: structure
n-glycylalanineGly-Ala : A dipeptide formed from glycine and L-alanine residues.dipeptidemetabolite
4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl esterpyrimidinecarboxylic acid
1-(1h-indol-3-ylcarbonyl)-n-(4-methoxybenzyl)formamide1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide: structure in first source
4-methoxy-2-(4-propoxyphenyl)quinazolinequinazolines
1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thioureabenzenes
2-chloro-N-heptyl-N-(3-methylphenyl)acetamideanilide
4-(4-methylphenyl)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl estercoumarins
drotaverindrotaverin: Hungarian drug; RN given refers to parent cpd; structureisoquinolines
3-propoxy-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]benzamidethioureas
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]hexanamidethioureas
N-[3-(dimethylamino)propyl]-9H-carbazole-3-carboxamidecarbazoles
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acidpiperidines
N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidemethoxybenzenes
1-ethyl-3-[[[2-(2-methylpropyl)-4-quinolinyl]-oxomethyl]amino]thioureaquinolines
3-bromo-4-methoxy-N-[(propan-2-ylamino)-sulfanylidenemethyl]benzamidecarbonyl compound;
organohalogen compound
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
2-(2-methoxyethylthio)-N-(2-thiazolyl)benzamidecarbonyl compound
1-[2-(2-methylphenoxy)ethyl]-3-phenylthioureathioureas
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diaminearomatic ether
6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dionepyrazoles;
ring assembly
2-[[2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanolaminopyrimidine
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
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thionearomatic ether
necrostatin-5Necrostatin-5: structure in first source
2-[[[2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl esterquinoxaline derivative
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamidequinoxaline derivative
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(9-ethyl-3-carbazolyl)acetamidecarbazoles
2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]-N-(phenylmethyl)acetamidebenzofurans
2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl esteramidobenzoic acid
(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazinebenzothiazoles
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamidesulfonamide
2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanoldialkylarylamine;
tertiary amino compound
5-chloro-1h-benzimidazole-2-thiol5-chloro-1H-benzimidazole-2-thiol: trypanocidal
benzotriptbenzotript: anti-gastrinic; active group is amide; structure
3-[3-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]propyl]-1H-benzimidazol-2-onebenzimidazoles
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamideacetamides;
anilide
3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] esterphthalazines
4-(2,3-dihydroindol-1-ylmethyl)-7-ethyl-1-benzopyran-2-onecoumarins
N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamidequinolines
2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] esterquinolines
2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] esterdepsipeptide
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridinephenylpyridine
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanonearomatic ketone
3-[[4-(2-benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinonequinazolines
N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acidquinolines
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] esteraromatic carboxylic acid;
pyridines
3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(1H-benzimidazol-2-yl)benzamidesulfonamide
4,5-dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl estermethoxybenzoic acid
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamidequinolines
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-aminedicarboximide;
heterocyclic compound
2-(2-fluorophenoxy)-N-[4-(2-furanylmethylsulfamoyl)phenyl]acetamidesulfonamide
4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamidealkylbenzene
3-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-onebenzotriazines
2,6-dichloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzenesulfonamidesulfonamide
2-[3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolinyl]-N-(4-fluorophenyl)acetamidearomatic ketone;
quinolines
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-[ethyl-(phenylmethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
1-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ureaureas
2-ethoxy-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamidesulfonamide
2-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl esterbenzamides
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamidepyrazoles;
secondary carboxamide;
trifluoroacetamide
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diaminearomatic ether
2-bromo-N-[3-(1-oxopentylamino)phenyl]benzamidebenzamides
N-[4-(dibutylsulfamoyl)phenyl]-2-thiophen-2-ylacetamidesulfonamide
4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamidebenzamides
N-(2-furanylmethyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidin-4-ylthio)acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamidealkylbenzene
N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl estercarboxylic ester
4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamidesulfonamide
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
6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamidequinolines
N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamidearomatic amide;
furans
N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamideamidobenzoic acid
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamidedibenzofurans
N-(3-acetylphenyl)-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxamidearomatic amide
N-[4-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]pentanamideamidobenzoic acid
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-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl esterflavones;
tert-butyl ester
N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)-2-furancarboxamidebenzothiadiazole
3,4-dimethyl-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]benzamidethioureas
8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinolinequinolines
1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-4-methylbenzenemethoxybenzenes
8-[3-(3,4-dimethylphenoxy)propoxy]quinolinequinolines
N-(3-dibenzofuranyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamidedibenzofurans
reversanreversan: inhibits multidrug resistance-associated protein 1
2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] esternitrobenzoic acid
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl esterbenzamides
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamidemorpholines
2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolaminearyl sulfide
1-(3-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]ureasulfonamide
2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-onesulfonamide
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepinepyrroles
2-(2-chlorophenyl)-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamidequinolines
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
5-[(2-chlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-oneorganonitrogen compound;
organooxygen compound
N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamidenaphthalenes
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamidearyl sulfide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamidepyrazoles;
ring assembly
3-(1-azepanylsulfonyl)-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamidesulfonamide
sr 3335SR 3335: a retinoic acid receptor-related receptor alpha (RORalpha) inverse agonist; structure in first sourcesulfonamide
5-(4-propylphenyl)-1H-pyrazol-3-aminepyrazoles;
ring assembly
2-pyridin-4-yl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamidearomatic amide
1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] estersulfonamide
3-[(4-methyl-1-piperazinyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)benzamidesulfonamide
3-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)propanamidealkylbenzene
(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] esterdepsipeptide
2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamidesulfonamide
2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] esteralpha-amino acid ester
[4-(2-ethoxyphenyl)-1-piperazinyl]-(1-oxido-4-pyridin-1-iumyl)methanonepiperazines
N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diaminepyrazoles;
ring assembly
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-morpholinylsulfonyl)benzamidesulfonamide
4-[(1-methyl-5-tetrazolyl)thio]-5-phenylthieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] esterpyrazoles;
ring assembly
3-[2-(2-furanylmethylamino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)-2-naphthalenecarboxamidenaphthalenecarboxamide
3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethyl-4-(1-pyrrolidinyl)benzenesulfonamidepiperazines
2-chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanonearomatic ketone
4,6,8-trimethyl-1H-quinoline-2-thionequinolines
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl estersecondary carboxamide
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamidebenzodioxoles
N-[4-(4-methoxyphenyl)-2-thiazolyl]-5-methyl-2-phenyl-4-oxazolecarboxamide1,3-oxazoles
2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanonearyl sulfide
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamidequinoxaline derivative
[2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanoneN-arylpiperazine
2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] esterdepsipeptide
5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl estercarboxylic ester
4-methyl-N'-(4-quinazolinyl)benzohydrazidequinazolines
5-[2-[[2-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl esteraromatic amide;
furans
3-(methoxymethyl)-2-benzofurancarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl esterbenzofurans
2-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamidequinazolines
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamideamino acid amide
2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl esterbenzamides
4-(4-methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidineorganonitrogen heterocyclic compound;
thienopyrimidine
4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridazinonearomatic ketone
N-[3-(4-morpholinyl)propyl]-3-(3-pyridinyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amineorganonitrogen heterocyclic compound
4-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamidebenzamides
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
4-chloro-N-[3-[(3,5-dimethyl-4-isoxazolyl)methylthio]-2-quinoxalinyl]benzenesulfonamidequinoxaline derivative
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamidebenzamides
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluorobenzamidecarbonyl compound;
organohalogen compound
3-(diethylsulfamoyl)-N-(3,5-dimethylphenyl)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
Pregnenolone acetatesteroid ester
formic acid, sodium saltsodium formate : An organic sodium salt which is the monosodium salt of formic acid.organic sodium saltastringent;
buffer
sodium propionatesodium propionate : An organic sodium salt comprising equal numbers of sodium and propionate ions.

sodium propionate: was term of propionic acid (1986-2006)
organic sodium saltantifungal drug;
food preservative
5-chloro-2-mercaptobenzothiazole
2-amino-5-mercapto-1,3,4-thiadiazole2-amino-5-mercapto-1,3,4-thiadiazole: structure in first source
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
glycylvalineglycylvaline: RN given refers to (DL)-isomerdipeptidehuman metabolite
meso-1,2-diphenylethylenediamine, (r-(r*,s*))-isomerdiphenylethylenediamine: structure in first source
N1-[4-(aminosulfonyl)phenyl]-2,2-dimethylpropanamidesulfonamide
2,4-Di(3-pyridyl)-1,3-thiazolethiazoles
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrilenitrile;
pyridines
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamidenaphthothiazole
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-aminequinolines
1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thioureatetrazoles
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
4-methylumbelliferyl glucoside4-methylumbelliferyl beta-D-glucoside : A beta-D-glucoside having a 4-methylumbelliferyl substituent at the anomeric position.

4-methylumbelliferyl glucoside: RN given refers to (beta)-isomer
beta-D-glucoside;
coumarins;
monosaccharide derivative
chromogenic compound
tetraoctylammonium bromidetetraoctylammonium bromide: a phase transfer reagent
galactalgalactal: RN given refers to cpd with unspecified isomeric designation; structureanhydrohexose;
glycal
8-azidoadenosine 5'-triphosphate
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-onepyrazoles
3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl esterthiophenecarboxylic acid
hc-067047HC-067047: a TRPA1 antagonist; structure in first source
2-(4-chlorophenyl)guanidineorganochlorine compound
ethionamideethionamide : A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide.

Ethionamide: A second-line antitubercular agent that inhibits mycolic acid synthesis.
pyridines;
thiocarboxamide
antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrilebiphenyls
2-chloro-N-(7-methyl-9-oxo-2-thioxanthenyl)benzamidethiochromane
LSM-20838pyrazolopyrimidine
4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl esterpiperidines
2-chloro-N-[3-cyano-4-[(4-methoxyphenyl)thio]phenyl]benzamidebenzamides
2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl estersulfonamide
stattic1-benzothiophenes;
C-nitro compound;
sulfone
antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor
3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dionemaleimides
cgp 74514a
srpin340SRPIN340: Serine-Arginine-Rich Protein Kinase Inhibitor
ANA-121-benzothiophenes;
caprolactams;
secondary carboxamide
antidepressant;
anxiolytic drug;
tropomyosin-related kinase B receptor antagonist
1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thioureathioureas
ssya10-001SSYA10-001: a helicase inhibitor with antiviral activity; structure in first source
jnj-1661010N-arylpiperazine
2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acidalkylbenzene
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamidearomatic amide
2-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole(trifluoromethyl)benzenes
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(4-methylpiperazino)acetamideamino acid amide
3-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-onedimethoxybenzene
1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dioneanthraquinone
2-{5-[2-(Phenylthio)acetyl]-2-thienyl}acetic acidaryl sulfide
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioateacetylenic compound;
furans;
organofluorine compound;
thioester;
triazoles
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole: an amyloid imaging agent; structure in first source
2-(2-furanyl)-4-thiazolidinecarboxylic acidorganonitrogen compound;
organooxygen compound
methyl-thiohydantoin-tryptophanmethyl-thiohydantoin-tryptophan: structure in first sourceorganonitrogen compound;
organooxygen compound
2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acidthioureas
2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acidthioureas
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamineN-alkylpyrrolidine
1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazinepiperazines
3,5,7-trimethyl-N-[4-morpholinyl(sulfanylidene)methyl]-1-adamantanecarboxamidemorpholines
3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinolinepiperazines;
pyridines
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanolaromatic ether
1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dionepyrrolidines
4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalinepyrroline
3-[2-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]ethoxy]-4-phenyl-1,2,5-oxadiazolepiperazines
polysulfide rubber
cid 2858522aromatic ketone
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanolmethoxybenzenes
N-[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-3-(4-morpholinyl)propanamidediarylmethane
psn 375963PSN 375963: a GPR119 agonist
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamidehydroxyquinoline
trisindolinetrisindoline: an antibiotic indole trimer, produced by Vibrio separated from the marine sponge Hyrtios altum; structure given in first source
N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamidequinazolines
alanyl-alanyl-alanyl-alanine, (d-ala-l-ala-l-ala-l-ala)-isomeraromatic amide;
furans
N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-2-oxolanecarboxamidearomatic amide
hlm006474HLM006474: an inhibitor of E2F transcription factor; structure in first source
1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanolphenothiazines
N-cyclohexyl-4-(4-nitrophenyl)-1-piperazinecarbothioamidepiperazines
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
N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamidebenzimidazoles
6-amino-4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrilepiperazines;
pyranopyrazole
filastatinfilastatin: inhibits adhesion by Candida albicans; structure in first source
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamidearomatic amide;
heteroarene
4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] esterbenzenesulfonate ester
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamidebenzothiazoles
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamidehydroxyquinoline
1-[4-(3-ethoxyphenoxy)butyl]imidazolearomatic ether
4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] esterbenzenesulfonate ester
1-(2-furanylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dionetoluenes
benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] esterbenzenesulfonate ester
k 858K 858: an Eg5 inhibitor and antineoplastic agent; structure in first sourcebenzenes
benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] esterbenzenesulfonate ester
N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamidesulfonamide
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide: a tissue-nonspecific alkaline phosphatase inhibitor; structure in first sourcequinolines
N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamidediarylmethane
2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl esteralpha-amino acid ester
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dioneisoquinolines
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoneolefinic compound
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
1-(2,4-dimethoxyphenyl)-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dionemorpholines
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamidesulfonamide
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
1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)ureaureas
N-(4,5-dihydrothiazol-2-yl)-3,5-dimethyl-1-adamantanecarboxamidethiazoles
4-fluoro-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzamide(trifluoromethyl)benzenes
4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrilebenzenes;
nitrile
1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanonearomatic ketone
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxidearomatic ether
2-[[(4-chlorophenyl)thio]methyl]-5-methylimidazo[1,2-a]pyridineimidazopyridine
4-[cyclohexyl(methyl)amino]-N-(6-methyl-2-pyridinyl)-3-nitrobenzamideaminobenzoic acid
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamidearomatic amide;
heteroarene
N-[3-chloro-2-(1-piperidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamidebenzamides
2-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-4-phenylthiazolepiperazines;
pyridines
4-(2,5-dimethylphenyl)-6-[[(4-methylphenyl)methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl esterpyrimidinecarboxylic acid
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
5-(2-nitrophenyl)-N-(2-thiazolyl)-2-furancarboxamideC-nitro compound
nsc 727447NSC 727447: structure in first source
1-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propanolmonoterpenoid
2-(4-anilinophenoxy)acetic acid [2-(2-furanylmethylamino)-2-oxoethyl] esterdepsipeptide
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamidebenzothiazoles
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
4-chloro-N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamidesulfonamide
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
2-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamidepiperazines
3-(2,5-dimethyl-3-furanyl)-5,6-diphenyl-1,2,4-triazine1,2,4-triazines
bis(1-ethenyl-2-imidazolyl)-(9-ethyl-3-carbazolyl)-sulfanylidenephosphoranecarbazoles
N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamideN-acyl-amino acid
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamidedichlorobenzene
2-(2-furanyl)-N-(2-oxolanylmethyl)-4-quinolinecarboxamidequinolines
N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamidesulfonamide
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dionepyrroles
fusidic acidfusidic acid : A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum.

Fusidic Acid: An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed). It acts by inhibiting translocation during protein synthesis.
11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester
EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
scopolamine3-hydroxy carboxylic acid
lincomycinlincomycin : A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis.

Lincomycin: An antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.
carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound
antimicrobial agent;
bacterial metabolite
valinomycinvalinomycin : A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains.

Valinomycin: A cyclododecadepsipeptide ionophore antibiotic produced by Streptomyces fulvissimus and related to the enniatins. It is composed of 3 moles each of L-valine, D-alpha-hydroxyisovaleric acid, D-valine, and L-lactic acid linked alternately to form a 36-membered ring. (From Merck Index, 11th ed) Valinomycin is a potassium selective ionophore and is commonly used as a tool in biochemical studies.
cyclodepsipeptide;
macrocycle
antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
estrone sulfateestrone sulfate: sulfoconjugated estrone; RN given refers to parent cpd17-oxo steroid;
steroid sulfate
human metabolite;
mouse metabolite
ranitidineranitidine : A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.

Ranitidine: A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers.
C-nitro compound;
furans;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
Geraniintannin
hmr 3647
latoconazolelatoconazole: RN refers to cpd without isomeric designation; latoconazole is (E)-isomer; structure given in first sourceconazole antifungal drug;
imidazole antifungal drug
maraviroctropane alkaloid
nnd 502luliconazole: structure in first sourcedichlorobenzene
LSM-1318oxa-steroid
1,4-dimethoxy-10H-acridine-9-thioneacridines
toremifene citratestilbenoidanticoronaviral agent
toremifeneToremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.aromatic ether;
organochlorine compound;
tertiary amine
antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
nelarabinenelarabine : A purine nucleoside in which O-methylguanine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. Inhibits DNA synthesis and causes cell death; a prodrug of 9-beta-D-arabinofuranosylguanine (ara-G).

nelarabine: prodrug of ara-G
beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside
antineoplastic agent;
DNA synthesis inhibitor;
prodrug
l 783281L 783281: structure in first source
glycylprolineGly-Pro : A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group.dipeptide;
dipeptide zwitterion
metabolite
zephiran
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholinearomatic ether
1-(benzenesulfonyl)-2-benzimidazolaminesulfonamide
lomeguatrib
1-(4-nitrophenyl)sulfonyl-2-benzimidazolaminesulfonamide
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
albutoinalbutoin: structureorganonitrogen compound;
organooxygen compound
altanserinaltanserin: structure given in first source; a radioligand for PET studies of serotonin S2 receptorsquinazolines
spiraprilatSCH 33861: RN given refers to (8S-(7(R*(R*)),8R*))-isomer

spiraprilat : An azaspiro compound that is spirapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid group. It is the active metabolite of the angiotensin-converting enzyme (ACE) inhibitor spirapril.
azaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
panadiplonpanadiplon: structure given in first source; RN from Toxlit
or 1259hydrazone;
nitrile;
pyridazinone
anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
zuclomifene citrate
monooctanoin1-monooctanoylglycerol : A 1-monoglyceride that has octanoyl as the acyl group.

monooctanoin: dissolution agent for retained cholesterol bile duct stones; RN in Chemline for octanoic acid, ester with 1,2,3-propanetriol, MF unknown: 11140-04-8; RN for octanoic acid, 2,3-dihydroxypropyl ester (1-monooctanoin): 502-54-5; RN in 9th CI Form Index for (+-)-1-monooctanoin: 19670-49-6

rac-1-monooctanoylglycerol : A rac-1-monoacylglycerol comprising equal amounts of 1-octanoyl-sn-glycerol and 3-octanoyl-sn-glycerol.
1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol
almokalantalmokalant: structure given in first source
gestodeneGestodene: synthetic steroid with progestational activity; RN given refers to (17alpha)-isomersteroidestrogen
meclonazepam
omoconazoleomoconazole: RN given refers to (E)-isomer; structure given in first sourcedichlorobenzene
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
quininecinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
azoxystrobinazoxystrobin : An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.

azoxystrobin: a methoxyacrylate analog; a strobilurin fungicide; structure given in first source
aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile
antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic
amibegronmonocarboxylic acid
4-phenyl-1-(4-phenylbutyl)piperidine4-phenyl-1-(4-phenylbutyl)piperidine: a potent ligand for sigma receptors; structure given in first sourcepiperidines
e 7010E 7010: inhibits tubulin polymerization; structure given in first sourcesulfonamide
triptoreliniodophenpropit: structure given in first sourceorganoiodine compound
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
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
ly335979carbopolycyclic compound
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
6-thioinosine-5'-triphosphateorganic molecule
biricodarbiricodar: a non-macrocyclic ligand for FKBP12; structure in first sourcealpha-amino acid ester
clamikalantclamikalant: inhibits ATP-sensitive potassium channel; structure in first source
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
adenosine-5'-(N-propyl)carboxamideadenosine-5'-(N-propyl)carboxamide : A monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.adenosines;
monocarboxylic acid amide
isothazisothaz: muscimol antagonist
prucaloprideprucalopride: a 5-HT4 agonist enterokinetic compoundbenzamides
azilect
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
trequinsin hydrochloride
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
homoquinolinic acidhomoquinolinic acid: structure given in first source
erysolin
2-aminohippuric acidN-acylglycine
asterric acidasterric acid: structure given in first source; inhibits the binding of endothelin-1 to the ET(A) receptor of A10 cells
glycyllysineGly-Lys : A dipeptide formed from glycine and L-lysine residues.

glycyllysine: RN given refers to (L)-isomer
dipeptidemetabolite
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
7-amino-4-chloro-3-(3-isothiureidopropoxy)isocoumarin7-amino-4-chloro-3-(3-isothiureidopropoxy)isocoumarin: structure given in first source
s-adenosyl-1,12-diamino-3-thio-9-azadodecaneS-adenosyl-1,12-diamino-3-thio-9-azadodecane: structure given in first source
acetyl-arginyl-glycyl-aspartyl-serinamide
sr 144528SR 144528 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-(4-chloro-3-methylphenyl)-1-(4-methylbenzyl)-1H-pyrazole-3-carboxylic acid with the amino group of (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine. A potent and selective cannabinoid receptor type 2 (CB2 receptor) inverse agonist (Ki = 0.6 nM).

SR 144528: a CB2 cannabinoid receptor antagonist; structure in first source
bridged compound;
monochlorobenzenes;
pyrazoles;
secondary carboxamide
CB2 receptor antagonist;
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
bradykinin (1-5)bradykinin (1-5): a stable marker of bradykinin production in vivo; a metabolite of bradykinin degradation in plasma
trimethionineoligopeptide
ici 199441acetamides
n-methylnandigerineN-methylnandigerine: bioactive principle from the roots of Lindera megaphylla; RN given refers to (S)-isomer; RN for cpd without isomeric designation not avail 4/92; structure given in first source
6,7,8-trimethoxycoumarin6,7,8-trimethoxycoumarin: structure in first sourcecoumarins
2,6-dibromosulfanilamide2,6-dibromosulfanilamide: structure in first source
n-(2-naphthalene)sulfonyl-dl-tryptophan
cholecystokinin (27-33), tert-butyloxycarbonyl-nle(28,31)-cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-: cholecystokinin agonist
silybin
via 2291atreleuton: structure given in first source
benzene-1-3-disulfonamidesulfonamide
2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzimidazol-5-aminebenzimidazoles
9-hydroxyiminofluorene-2,7-disulfonamidefluorenes
2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(3-methylphenyl)acetamideanilide
4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl esterorganonitrogen compound;
organooxygen compound
2-[(4-chlorophenyl)-[2-[5-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]propanedinitrilethiazoles
3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazolepyrazoles;
ring assembly
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amineC-nitro compound
2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrileindoles
4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acidaromatic amide
3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamidesulfonamide
N'-(9-acridinyl)-2-hydroxybenzohydrazideacridines
2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanoldialkylarylamine;
tertiary amino compound
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidinemethoxybenzenes
n-(indol-3-ylglyoxylyl)benzylamineN-(indol-3-ylglyoxylyl)benzylamine: structure given in first source
3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl esterbenzoate ester
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline : An organic heterotricyclic compound that is 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline which is substituted by a pyridin-3-yl at position 4 and by fluorines at positions 6 and 8.organic heterotricyclic compound;
organofluorine compound;
pyridines;
secondary amino compound
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamidesulfonamide
CID 3192987N-arylpiperazineanticoronaviral agent
N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamidearomatic amide;
furans
anticoronaviral agent
2-[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamidemonoterpenoid
2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamidephenothiazines
N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamideN-arylpiperazine
3-(5-methyl-2-furanyl)-5-[1-(2-naphthalenylsulfonyl)-3-piperidinyl]-1,2,4-oxadiazolenaphthalenes;
sulfonic acid derivative
4-(2-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinolpiperidines
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanoneorganonitrogen compound;
organooxygen compound
1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanaminearomatic amine
7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidinepyrazoles;
ring assembly
N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N',N'-dimethylpropane-1,3-diaminepyrimidines
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(4-methyl-2-thiazolyl)acetamidebenzimidazoles
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-2-thiazolyl]-2-(4-morpholinyl)acetamideamino acid amide
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-pyridinyl)-N-(3-pyridinylmethyl)-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
N-[(3-methylphenyl)methyl]-6-(3-pyridinyl)-4-quinazolinaminequinazolines
N-(2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamidepyrazoles;
ring assembly
N-[2-(1-cyclohexenyl)ethyl]-3-(1,3-dioxo-2-isoindolyl)propanamidephthalimides
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
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamideanilide
3-[4-[(2-hydroxy-5-phenylphenyl)methyl]-1-piperazinyl]propanenitrilebiphenyls
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl esterbenzothiazoles
N-[3-(1-azepanyl)propyl]-1-[(4-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamidepyrrolidinecarboxamide
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methyl-2-imidazo[2,1-b]thiazolecarboxamideimidazoles
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanonenaphthalenes
2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamideN-acyl-amino acid
1-(4-bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]-1,4-diazepanesulfonamide
1-(4-methyl-2-prop-2-enylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanolpiperazines
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamidequinolines
4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamideindoles
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
5-(phenylmethoxymethyl)-7-(1-piperidinylmethyl)-8-quinolinolhydroxyquinoline
4-(2,3-dihydroindol-1-yl)-N-[3-(N-ethyl-3-methylanilino)propyl]-3-(1-imidazolyl)-4-oxobutanamideindoles
1-(2-methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazolebenzimidazoles
4-hydroxy-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) esterpeptide
2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamidequinazolines
1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide1-benzopyran
N-[3-(1-imidazolyl)propyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamidenaphthalenes
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
1-[bis(prop-2-enyl)amino]-3-(9-carbazolyl)-2-propanolcarbazoles
LSM-18934monoterpenoid
5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl esterbenzothiazoles
2-(2,4-dimethoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-quinolinecarboxamidequinolines
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
N-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamidepiperazines
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
6-(1,3-benzodioxol-5-ylmethylamino)-3-(2-methylphenyl)-1H-pyrimidine-2,4-dionebenzodioxoles
1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamideisoquinolines
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,N-diethyl-4-[[5-oxo-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzenesulfonamidesulfonamide
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamidepiperazines;
pyridines
4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dionepiperazines;
pyridines
N-[3-(1-azepanyl)propyl]-2-(4-morpholinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamidebenzothiazine
3-(2-furanylmethyl)-5-(2-methoxyethyl)-1,3,5-thiadiazinane-2-thionethiadiazinane
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanoneorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
7-[(4-methyl-1-piperazinyl)methyl]-5-(phenylmethoxymethyl)-8-quinolinolhydroxyquinoline
3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanonequinolines
3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamidepyrazoles;
ring assembly
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamideureas
3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-(2-thiazolyl)propanamidemethoxybenzenes
1-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-3-[4-(methylthio)phenyl]ureapiperazines
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-onepyrrolopyridine
N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-aminepiperazines
N-(4-ethoxyphenyl)-2-(hydroxymethyl)benzamidebenzamides
LSM-16579monoterpenoid
N-(3,4-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamidesulfonamide
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanonebenzimidazoles
N-(4-fluorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamideureas
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanonepiperazines;
pyridines
N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(1-ethyl-2-oxo-4-quinolinyl)oxy]acetamidepiperazines
1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide1,3-oxazoles
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,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
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide1,3-oxazoles
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamidepyrrolidines
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
2-[2,4-dioxo-3-(phenylmethyl)-1-quinazolinyl]-N-(5-methyl-3-isoxazolyl)acetamidequinazolines
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinaminepyrimidines
N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamidearomatic ketone
2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-onequinazolines
2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(2-oxolanylmethyl)acetamidetriazoles
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
1-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl esterpyrroles
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
nsc 117199
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) estercarboxylic ester
2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamidenaphthalenes
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-onearomatic ketone
4-chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) esterbenzoate ester
5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrilepyrroline
3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamidefatty amide
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
2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4,5-dihydropyrano[3,2-c]pyridine-3-carbonitrilemethoxybenzenes
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] esterC-nitro compound;
thiophenes
2-(1-benzo[e]benzofuranyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamidenaphthofuran
2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl esterthiophenecarboxylic acid
sw033291SW033291: inhibits 15-hydroxyprostaglandin dehydrogenase (15-PGDH)
rs-130830RS-130830: orally-active broad-spectrum matrix metalloproteinase inhibitor
1-(6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thioureathioureas
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamidesulfonamide
N-(4-methoxyphenyl)-2-(N-methylanilino)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamideamino acid amide
N-[4-(difluoromethoxy)phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamidethioureas
2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrileC-nitro compound;
furans
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
5-methyl-2-(2-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-onetriazoles
ua 62784UA 62784: inhibits centromere protein E kinesin-like protein; structure in first source
gtp 14564pyrazoles;
ring assembly
sb 218078indolocarbazole
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
2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamidesulfonamide
4-amino-2-nitrophenol2-nitrophenols
sodium dodecyl sulfatesodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.

Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.
organic sodium saltdetergent;
protein denaturant
4-butyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thionetriazoles
4-(dimethylsulfamoyl)benzoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] esterbenzoxazine
2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
fh535FH535: inhibits Wnt signalingsulfonamide
blisterblebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II.

blebbistatin: structure in first source
cyclic ketone;
pyrroloquinoline;
tertiary alcohol;
tertiary alpha-hydroxy ketone
inhibitor
ro 41-0960
7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehydeazaphilone
1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-olindolesanticoronaviral agent
4-azidosulfanilamide
1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thioureasulfonamide
N-cycloheptyl-4-(2-oxolanylmethoxy)benzamidebenzamides
4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamidearomatic ketone
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
2-methyl-5-[(4-phenyl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazololpiperazines
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazinepyrroles
2-[4-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid methyl esterbenzoxazine
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
illudalic acidilludalic acid: isolated from Clitocybe illudens; structure in first source
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamidequinolines
6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(6-methyl-2-pyridinyl)-4-bicyclo[2.1.1]hexanecarboxamidearomatic amide
8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dioneoxopurine
ML162ML162 : A monochlorobenzene that is benzene substituted by (chloroacetyl){2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl}amino, chloro and methoxy groups at positions 1, 3 and 4, respectively. It is a covalent inhibitor of glutathione peroxidase 4 (GPX4) that induces ferroptosis in cells.monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer
1-(phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thioureatetralins
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazoleimidazoles
3-methyl-2-methylene-1,5-diphenylpentane-1,5-dionearomatic ketone
6-bromo-3'-nitroflavone6-bromo-3'-nitroflavone: a synthetic flavonoid with high affinity for the benzodiazepine receptors
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]propanoic acid methyl esteraryl sulfide
1-ethyl-3-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]thioureabenzimidazoles
4-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitrobenzoic acid methyl esterpiperidines
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimineimidazoles
4-(5-bromo-2-thiophenyl)-6-methyl-2-(1-pyrrolyl)pyrimidinethiophenes
4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thionetriazoles
3-benzoyl-1,5-bis(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dionepyrrolidines
2-hydroxy-2-pentyl-N'-phenylheptanehydrazidephenylhydrazines
5-tert-butyl-7-(4-ethyl-1-piperazinyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidineN-arylpiperazine
5,7-dimethyl-3-phenyldiazenyl-1H-pyrazolo[1,5-a]pyrimidin-2-onepyrazolopyrimidine
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onedimethoxybenzeneanticoronaviral agent
LSM-31277oxacycle
N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamideorganonitrogen compound;
organooxygen compound
4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-onepyrazoles;
ring assembly
1-[4-(2-chlorophenoxy)butyl]imidazole1-[4-(2-chlorophenoxy)butyl]imidazole : An aromatic ether that is 2-chlorophenol in which the phenolic hydrogen has been substituted by a 4-(1H-imidazol-1-yl)butyl group.aromatic ether;
imidazoles;
monochlorobenzenes
4-(2-chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidineorganonitrogen heterocyclic compound
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamidearomatic ether;
C-nitro compound
rose bengal(2-)rose bengal(2-) : The anionic form of a fluorescent dye derived from a polyhalogenated fluorescin.monocarboxylic acid anion;
xanthene dye
fluorochrome
1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazolemethoxybenzenesanticoronaviral agent
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one: an estrogen receptor alpha inhibitor
or486OR486: structure given in first source
1-(2,4-dichlorophenyl)-3-[3-(1-imidazolyl)propyl]ureaureas
rs 17053indoles
ro 106-9920Ro 106-9920: inhibits ubiquitination to block NF-kappaB-dependent cytokine expression; structure in first sourcesulfoxide
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] esteraromatic ketone
N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamidequinolines
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidinebenzodioxine;
thienopyrimidine
1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thioureaphenylhydrazines
suramin sodiumsuramin(6-) : An organosulfate oxoanion that is the hexanion of suramin resulting from the deprotonation of the six sulfo groups; major species at pH 7.3.organosulfate oxoanion
alizarin red salizarin red S : An organic sodium salt having 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate as the counterion. It is commonly used to stain embryo skeletons in cleared whole mounts, usually of small mammals.

Alizarin Red S: RN given refers to parent cpd; structure
organic sodium salt;
organosulfonate salt
histological dye
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(2-furanylmethyl)-2-pyridinecarboxamideorganonitrogen compound;
organooxygen compound
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester(trifluoromethyl)benzenes
4-[(3-methyl-5-nitro-4-imidazolyl)amino]phenolC-nitro compound;
imidazoles
N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamidequinoxaline derivative
cp 94253pyrrolopyridine
ferrostatin-1ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals.

ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source
ethyl ester;
primary arylamine;
substituted aniline
antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamidepiperazines
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl esterisoquinolines
2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide1-benzopyran
2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acidsulfonamide
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamidequinoxaline derivative
3,5-bis(4-methoxyphenyl)-1H-imidazole-2-thione1,3-dihydroimidazole-2-thiones
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thionebenzenes
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
2-[[[[[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl esterthiophenecarboxylic acid
2-[(3-fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone4-pyranones
4-(3,4-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazole-5-thionetriazoles
5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl esterdepsipeptide
2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamidepiperidines
sb 4152863-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first sourceC-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline
antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamideaminoquinoline
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-onepyrazoles;
ring assembly
2-[4-(9H-fluoren-9-yl)-1-piperazinyl]-N-(4-methoxyphenyl)acetamidefluorenes
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
6-amino-5-cyano-2-[[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid methyl esternaphthyridine derivative
d 609
4-(5-(4-bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1h-pyrazol-1-yl)-4-oxobutanoic acid4-(5-(4-bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid: structure in first source
4-phenyl-1,2,3,4-tetrahydroisoquinoline4-phenyl-1,2,3,4-tetrahydroisoquinoline: RN given is for (R)-isomer; inhibits spinal reflex-enhancing effects of methamphetamine, phenylethylamine, and nomifensineisoquinolines
5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(1-naphthalenylmethyl)-3-indolyl]methyl]-1,2-dihydropyrazol-3-onenaphthalenes
N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamideC-nitro compound;
secondary carboxamide;
tertiary carboxamide;
trifluoroacetamide
sch 79797quinazolines
3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4-thiazolidinonedimethoxybenzene
LSM-26445organic heterotricyclic compound;
organooxygen compound
LY-310762aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound
receptor modulator;
serotonergic antagonist
5-methoxycarbonylamino-n-acetyltryptamine5-methoxycarbonylamino-N-acetyltryptamine: an mt1/MT2 receptor agonistacetamides
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
1-(5-nitro-2-thiophenyl)piperidineC-nitro compound;
thiophenes
N-[2-(2,4,6-trinitrophenyl)ethyl]anilineC-nitro compound
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamideanthraquinone
(r,s)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3h-benzofuran-2-one(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one: a positive allosteric modulator of GABAB receptors; structure in first source
2-nitro-4-phenylenediamine2-nitro-4-phenylenediamine: 2-nitro-1,4-benzenediamine; RN given refers to parent cpd

2-nitro-p-phenylenediamine : A primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application).
C-nitro compound;
primary amino compound
N-(2-methylphenyl)-1-phenazinecarboxamidephenazines
2-methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptanepiperidines
gl-4
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
idd 594Idd 594: structure in first source
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
thiorphan
pd 407824
ver-490095-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide : An aromatic amide obtained by formal condensation of the carboxy group of 5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)pyrazole-3-carboxylic acid with the amino group of ethylamine.

VER-49009: inhibits heat shock protein 90 molecular chaperone; structure in first source
aromatic amide;
monochlorobenzenes;
monomethoxybenzene;
pyrazoles;
resorcinols
Hsp90 inhibitor
iododiflunisaliododiflunisal: an amyloid inhibitor; structure in first source
2-(N-(2-chloro-1-oxoethyl)-4-fluoroanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamideorganonitrogen compound;
organooxygen compound
2-furanyl-[4-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-thiophen-2-ylmethyl]-1-piperazinyl]methanoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-oneimidazolidines
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzodioxine;
triazolothiadiazole
N2,N6-bis[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamidearomatic amide
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonetoluenesanticoronaviral agent
N-(1-dibutoxyphosphoryl-4-oxo-1-naphthalenyl)benzenesulfonamidenaphthalenes
2,6-difluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamidetetralins
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
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamidequinolines
3-amino-4-[(4-chlorophenyl)thio]benzoic acid methyl esteraryl sulfide
N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamideimidazolidine-2,4-dione
N-(1H-benzimidazol-2-yl)-3-phenylbutanamidebenzimidazoles
1-[(4-fluorophenyl)-oxomethyl]-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-2-azepanonequinolines
4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-onequinazolines
2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinonepyridopyrimidine
2-[8-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl esteralpha-amino acid ester
2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl esteralpha-amino acid ester
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] esterC-nitro compound;
thiophenes
rabeprazole(1-)organic nitrogen anion
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
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamidebenzamides
5-Nitroisatinindolesanticoronaviral agent
3-propoxy-beta-carboline3-propoxy-beta-carboline: structure in first source
4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thionetriazoles
5-ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] esterbenzofurans
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] esterC-nitro compound;
thiophenes
2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] esteralpha-amino acid ester
2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinaminepiperidines
2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamidebenzoic acids
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamideimidazoles
3,7-dichloro-N-[3-(1-imidazolyl)propyl]-6-methoxy-1-benzothiophene-2-carboxamide1-benzothiophenes
8-(4-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dioneoxopurine
2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamideamino acid amide
4-amino-5-cyano-2-(1-naphthalenylmethylthio)-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamidenaphthalenes
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amineN-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a pyridin-3-yl group and a (1-benzylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively.aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound
3-methoxy-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-naphthalenecarboxamidenaphthalenecarboxamide
N-(3,4-dimethylphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamideanilide
N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidenaphthalenes
N-[[1-(2-phenoxyethyl)-2-benzimidazolyl]methyl]anilinebenzimidazoles
N-[3-(2-methylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-aminebenzothiazoles
LSM-4833quinolines
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidineN-arylpiperazine
5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamineaminopyridine
2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl esteralpha-amino acid ester
N'-(4-nitrophenyl)-9-oxo-3-bicyclo[3.3.1]nonanecarbohydrazideC-nitro compound
2-(2',5'-dioxo-1'-spiro[3,4-dihydro-2H-1-benzopyran-4,4'-imidazolidine]yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamideimidazolidine-2,4-dione
2-amino-5-nitrophenol2-amino-5-nitrophenol: RN & structure given in first source3-nitrophenols
np 1188091-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one: an N-type calcium channel blocker; structure in first source
merbaronemerbarone: structure given in first source
alsterpaullonealsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.

alsterpaullone: structure in first source
C-nitro compound;
caprolactams;
organic heterotetracyclic compound
anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
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
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate : An organophosphate oxoanion obtained by deprotonation of the phospho and sulfo groups of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid.organophosphate oxoanion;
organosulfonate oxoanion
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
mrs2159MRS2159: an antagonist of both P2X1 and P2X7 receptors
3-[1-butyl-5-(diethylsulfamoyl)-2-benzimidazolyl]propanoic acidbenzimidazoles
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamideaminoquinoline
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
1-cyclohexyl-N-(3-methylbutyl)-5-benzimidazolecarboxamidebenzimidazoles
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
N-(4-methoxyphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-2-furancarboxamidenaphthalenes
2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]isoindole-1,3-dionequinolines
1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthioureathioureas
1-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylureasulfonamide
sodium hexafluorophosphatesodium hexafluorophosphate : An inorganic sodium salt having hexafluorophosphate(1-) as the counterion. It is an electrolyte used in sodium-ion batteries.inorganic sodium salt
4,5,6,7-tetrabromobenzimidazole4,5,6,7-tetrabromobenzimidazole: structure in first source
[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanonefuroic acid
(3,5-dichloroanilino)thioureadichlorobenzene
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-yleminepyrazolopyrimidinetyrosine kinase inhibitor
N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-methylbenzamidebenzoic acids
ncgc00099374
5,6-dimethyl-1-octyl-4-benzimidazolaminebenzimidazoles
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamidebenzamides
sib 1757SIB 1757: a selective mGluR5 antagonist; structure in first source
sodium butyrateorganic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamideorganonitrogen compound;
organooxygen compound
isoselenocyanic acidhydracid;
one-carbon compound
ginkgetinginkgetin : A biflavonoid that is the 7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2.

ginkgetin: from Cephalotaxus drupacea; biflavone; active against HSV-1; structure given in first source
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly
anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
benzyl cinnamatebenzyl cinnamate : The cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent.

benzyl cinnamate: structure in first source
cinnamate esterantigen;
epitope;
fixative;
flavouring agent;
fragrance
calceolarioside acalceolarioside A: structure given in first source; isolated from Calceolaria hypericina; induces platelet aggregationhydroxycinnamic acid
calceolarioside bcalceorioside B: a cardioprotective agent isolated from Akebia; structure in first sourcehydroxycinnamic acidmetabolite
fraxinfraxin : A beta-D-glucoside that is fraxetin attached to a beta-D-glucopyranosyl group at position 8 via a glycosidic linkage. It is a natural product isolated from the leaves of Fraxinus excelsior and exhibits potent hepatoprotective effects in vitro and in vivo.

fraxin: found in Fraxinus excelsior leaves; structure given in first source
aromatic ether;
beta-D-glucoside;
hydroxycoumarin
anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
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
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
cyclo(d-tyrosyl-arginyl-arginyl-3-(2-naphthyl)alanyl-glycyl)oligopeptide
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
dinoprostoneprostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
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
bergaptol5-hydroxyfurocoumarin : A furanocoumarin which bears a hydroxy group at position 5.5-hydroxyfurocoumarin;
psoralens
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
leukotriene a4leukotriene A4 : A leukotriene that is the (5S,6S)-epoxy derivative of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid.

Leukotriene A4: (2S-(2 alpha,3 beta(1E,3E,5Z,8Z)))-3-(1,3,5,8-Tetradecatetraenyl)oxiranebutanoic acid. An unstable allylic epoxide, formed from the immediate precursor 5-HPETE via the stereospecific removal of a proton at C-10 and dehydration. Its biological actions are determined primarily by its metabolites, i.e., LEUKOTRIENE B4 and cysteinyl-leukotrienes. Alternatively, leukotriene A4 is converted into LEUKOTRIENE C4 by glutathione-S-transferase or into 5,6-di-HETE by the epoxide-hydrolase. (From Dictionary of Prostaglandins and Related Compounds, 1990)
epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid
human metabolite;
mouse metabolite;
plant metabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone3,7-dimethoxy-5,3',4'-trihydroxyflavone: isolated from Veronia eremophila; structure given in first source

3',4',5-trihydroxy-3,7-dimethoxyflavone : A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin.
dimethoxyflavone;
trihydroxyflavone
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
arachidonyltrifluoromethaneAACOCF3 : A fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group

arachidonyltrifluoromethane: structure given in first source; inhibits 85-kDa phospholipase A2
fatty acid derivative;
ketone;
olefinic compound;
organofluorine compound
EC 3.1.1.4 (phospholipase A2) inhibitor
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
calcitrioldihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytesD3 vitamins;
hydroxycalciol;
triol
antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
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
vitamin k semiquinone radicalvitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.

vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase
beta carotenebeta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).

provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.
carotenoid beta-end derivative;
cyclic carotene
antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
retinol palmitateall-trans-retinyl palmitate : An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis.

retinol palmitate: RN given refers to parent cpd; structure

retinyl palmitate : A palmitate ester of retinol with undefined geometry about the C=C bonds.
all-trans-retinyl ester;
retinyl palmitate
antioxidant;
Escherichia coli metabolite;
human xenobiotic 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
hymecromoneHymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
daphnetinhydroxycoumarin
luteolin-7-glucosideluteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum
beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
antioxidant;
plant metabolite
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
chrysoeriol4',5,7-trihydroxy-3'-methoxyflavone : The 3'-O-methyl derivative of luteolin.

chrysoeriol: isolated from leaves of Eurya japonica & E. emarginata
monomethoxyflavone;
trihydroxyflavone
antineoplastic agent;
antioxidant;
metabolite
quercetin 3-o-methyl ether3',4',5,7-tetrahydroxy-3-methoxyflavone : A tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position.

quercetin 3-O-methyl ether: from Rhamnus species; structure in first source
monomethoxyflavone;
tetrahydroxyflavone
antimicrobial agent;
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
15-keto-5,8,11,13-eicosatetraenoic acid15-keto-5,8,11,13-eicosatetraenoic acid: RN given refers to (E,Z,Z,Z)-isomer; RN for cpd without isomeric designation not available 3/88

15-oxo-ETE : An oxoicosatetraenoic acid having (5Z,8Z,11Z,13E) double bond stereochemistry, and an oxo group in position 15.
oxoicosatetraenoic acidhuman metabolite
alprostadilprostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
apiinapiin : A beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4'-dihydroxyflavon-7-yl moiety at the anomeric position.

apiin: structure
beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
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
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
quercetin 3-o-glucopyranosidequercetin 3-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells

quercetin 3-O-glucopyranoside: structure in first source
beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
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
naringenin chalcone2',4,4',6'-tetrahydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively.

naringenin chalcone: RN given refers to cpd with unspecified stereoisomer & from CA Vol 92 Form Index; RN for cpd not in Chemline 7/6/83; structure in first source
chalcones;
polyphenol
anti-allergic agent;
anti-inflammatory agent;
metabolite
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
clavulanic acidclavulanate : The conjugate base of clavulanic acid.

clavulanic acid : Antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes.

Clavulanic Acid: A beta-lactam antibiotic produced by the actinobacterium Streptomyces clavuligerus. It is a suicide inhibitor of bacterial beta-lactamase enzymes. Administered alone, it has only weak antibacterial activity against most organisms, but given in combination with other beta-lactam antibiotics it prevents antibiotic inactivation by microbial lactamase.
oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicortbudesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.

Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone
anti-inflammatory drug;
bronchodilator agent;
drug allergen
pyrantel pamoatePyrantel Pamoate: Broad spectrum antinematodal anthelmintic used also in veterinary medicine.organic molecular entity
oxymetholoneoxymetholone : A 3-oxo-5alpha- steroid that is 4,5alpha-dihydrotestosterone which is substituted by a hydroxymethylidene group at position 2 and by a methyl group at the 17alpha position. A synthetic androgen, it was mainly used for the treatment of anaemias until being replaced by treatments with fewer side effects.

Oxymetholone: A synthetic hormone with anabolic and androgenic properties. It is used mainly in the treatment of anemias. According to the Fourth Annual Report on Carcinogens (NTP 85-002), this compound may reasonably be anticipated to be a carcinogen. (From Merck Index, 11th ed)
pyrviniumpyrvinium : A quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents.

pyrvinium: RN given refers to parent cpd; synonyms vanquin & vankin refer to pamoate[2:1]; structure in Merck Index, 9th ed, #7810
quinolinium ionanthelminthic drug;
antineoplastic agent
eprosartaneprosartan : A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure.

eprosartan: angiotensin II receptor antagonist
dicarboxylic acid;
imidazoles;
thiophenes
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
brompheniramine maleatebrompheniramine maleate : The maleic acid salt of brompheniramine. A histamine H1 receptor antagonist, it is used for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.maleate saltanti-allergic agent
clemastine fumarateclemastine fumarate : The fumaric acid salt of clemastine. An antihistamine with antimuscarinic and moderate sedative properties, it is used for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
dexchlorpheniramine maleateorganic molecular entity
mycophenolate mofetilmycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases.carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound
anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacaponeentacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.

entacapone: structure given in first source
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
naftifine hydrochlorideallylamine antifungal drug;
hydrochloride
paricalcitolhydroxy seco-steroid;
seco-cholestane
antiparathyroid drug
jasmonic acidjasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.

jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;
oxo monocarboxylic acidjasmonates;
plant metabolite
buteinchalcones;
polyphenol
antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
norbixinnorbixin: an annatto compound; RN given refers to all-trans-norbixin (beta-norbixin); 9-cis-norbixin is alpha-norbixinditerpenoid
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
daphnoretindaphnoretin : A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3.

daphnoretin: isolated from the whole plant Wikstroemia indica
aromatic ether;
hydroxycoumarin
antineoplastic agent;
antiviral agent;
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
esculinbeta-D-glucoside;
hydroxycoumarin
antioxidant;
metabolite
7-hydroxycoumarin7-oxycoumarin: derivatives have anti-oxidant properties

umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.
hydroxycoumarinfluorescent probe;
food component;
plant metabolite
eupatoriopicrinegermacranolide
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
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant 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
datiscetindatiscetin : A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5.7-hydroxyflavonol;
tetrahydroxyflavone
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
galangin5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source

galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.
7-hydroxyflavonol;
trihydroxyflavone
antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
hinokiflavonehinokiflavone : A biflavonoid that is apigenin substituted by a 4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy group at position 6. A diflavonyl ether, it is isolated from Rhus succedanea and has been found to possess significant cytotoxic potential.

hinokiflavone: from Rhus succedanea; structure given in first source
aromatic ether;
biflavonoid;
hydroxyflavone
antineoplastic agent;
metabolite;
neuroprotective agent
hispidulinhispidulin : A monomethoxyflavone that is scutellarein methylated at position 6.monomethoxyflavone;
trihydroxyflavone
anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
gentiseingentisein : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7.

gentisein: isolated from the methanol extract of the herb of Hypericum annulatum; structure in first source
polyphenol;
xanthones
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
mangiferinshamimin: isolated from the leaves of Bombax ceiba; structure in first sourceC-glycosyl compound;
xanthones
anti-inflammatory agent;
antioxidant;
hypoglycemic 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
kaempferidekaempferide : A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol.

kaempferide: structure in first source
7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone
antihypertensive agent;
metabolite
kuwanon gkuwanon G: a non-peptide bombesin receptor antagonist; RN refers to (1S-(1alpha,5alpha,6beta))-isomer; structure given in first source

kuwanone G : A tetrahydroxyflavone isolated from the root barks of Morus alba and has been shown to exhibit anti-inflammatory activity.
resorcinols;
tetrahydroxyflavone
anti-inflammatory agent;
plant metabolite
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
quercetagetinquercetagetin : A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively.

quercetagetin: structure given in first source; inhibits aldose reductase in rat lens
flavonols;
hexahydroxyflavone
antioxidant;
antiviral agent;
plant metabolite
rhamnetinrhamnetin : A monomethoxyflavone that is quercetin methylated at position 7.

rhamnetin: aglycone of xanthorhamnin; from Rhamnus
monomethoxyflavone;
tetrahydroxyflavone
anti-inflammatory agent;
antioxidant;
metabolite
robinetinrobinetin : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'.

robinetin: structure given in first source
7-hydroxyflavonol;
pentahydroxyflavone
plant metabolite
robustaflavonerobustaflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-3 of the hydroxyphenyl ring and C-6 of the chromene ring. Isolated from Thuja orientalis and Rhus succedanea it exhibits antioxidant, cytotoxic and anti-hepatitis B activity.

robustaflavone: bis-apigenin coupled at 6 and 3' positions; a potential non-nucleoside anti-hepatitis B agent;
biflavonoid;
hydroxyflavone;
ring assembly
anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite
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
sciadopitysinsciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone.

sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly
bone density conservation agent;
platelet aggregation inhibitor
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
tricetintricetin : Flavone hydroxylated at positions 3', 4', 5, 5' and 7.pentahydroxyflavoneantineoplastic agent;
metabolite
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
polydatintrans-piceid : A stilbenoid that is trans-resveratrol substituted at position 3 by a beta-D-glucosyl residue.beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid
anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
Pinosylvin methyl 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
forsythiasideforsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao)hydroxycinnamic acid
3,4-di-o-caffeoylquinic acid3,4-di-O-caffeoylquinic acid: isolated from Siphonostegia chinensisquinic acid
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
1,1-dimethylallyl caffeic acid ester1,1-dimethylallyl caffeic acid ester: structure given in first sourcehydroxycinnamic acid
rosmarinic acid(R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.

rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.

rosmarinic acid: RN given refers to parent cpd; promote OT project
rosmarinic acidgeroprotector;
plant metabolite
salvianolic acid asalvianolic acid A: a nootropic depside from Salvia miltiorrhiziastilbenoid
shogaolshogaol: from ginger, ZINGIBER OFFICINALE; less mutagenic than GINGEROL; structure given in first sourceenone;
monomethoxybenzene;
phenols
acteosideacteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.

acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae)
catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol
anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
prunetinprunetin : A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group.

prunetin: reduces herpes virus-1 plaque formation
7-methoxyisoflavones;
hydroxyisoflavone
anti-inflammatory agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
puerarinC-glycosyl compound;
hydroxyisoflavone
plant metabolite
wedelolactonewedelolactone : A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3.

wedelolactone: antihepatotoxic coumestan from Eclipta prostrata and Wedelia calendulacea (both Asteraceae); structure given in first source
aromatic ether;
coumestans;
delta-lactone;
polyphenol
antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite
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
ginkgolic acidhydroxybenzoic acid
savininsavinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2.

savinin: a lignan from Pterocarpus santalinus inhibits tumor necrosis factor-alpha production and T cell proliferation; structure in first source
benzodioxoles;
gamma-lactone;
lignan
anti-inflammatory agent;
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite;
T-cell proliferation inhibitor
flupenthixolcis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration.flupenthixoldopaminergic antagonist
sdz psc 833valspodar: nonimmunosuppressive cyclosporin analog which is a potent multidrug resistance modifier; 7-10 fold more potent than cyclosporin A; a potent P glycoprotein inhibitor; MW 1215homodetic cyclic peptide
estradiol-17 beta-glucuronide17beta-estradiol 17-glucosiduronic acid : A steroid glucosiduronic acid that consists of 17beta-estradiol having a beta-glucuronyl residue attached at position 17 via a glycosidic linkage.3-hydroxy steroid;
steroid glucosiduronic acid
l 660,711quinolines
7-hydroxyflavone7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group.hydroxyflavonoid
tectochrysintectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively.

tectochrysin: structure in first source
monohydroxyflavone;
monomethoxyflavone
antidiarrhoeal drug;
antineoplastic agent;
plant metabolite
curacin 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
cerulenincerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.

Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.
epoxide;
monocarboxylic acid amide
antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
l 683590immunomycin: from Streptomyces hygroscopicus; structure given in first sourceether;
lactol;
macrolide;
secondary alcohol
antifungal agent;
bacterial metabolite;
immunosuppressive 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
astragalinkaempferol 3-O-beta-D-glucoside : A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage.

kaempferol-3-O-glucoside: isolated from the pit of Mahkota dewa; structure in first source
beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone
plant metabolite;
trypanocidal drug
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
pheniramine maleateNaphcon A: tradename; contains above compounds; ophthalmic solutionorganic molecular entity
indomethacin farnesilN-acylindole
geranylgeranylacetonegeranylgeranylacetone: structure in first source; RN given refers to isomeric cpd without isomeric designation; mixture of (5E,9E,13E) & (5Z,9E,13E)-isomers

teprenone : A terpene ketone in which a (9E,13E)-geranylgernayl group is bonded to one of the alpha-methyls of acetone (it is a mixture of 5E- and 5Z-geoisomers in a 3:2 ratio).
cd 3400CD 3400: RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomerorganic molecular entity
sofalconesofalcone : A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea.aromatic ether;
chalcones;
monocarboxylic acid
anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
travoprosttravoprost : The isopropyl ester of prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of travoprost are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. It is a pro-drug; the isopropyl ester group is hydrolysed by esterases in the cornea to the biologically active free acid, fluprostenol.

Travoprost: A cloprostenol derivative that is used as an ANTIHYPERTENSIVE AGENT in the treatment of OPEN-ANGLE GLAUCOMA and OCULAR HYPERTENSION.
(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist
prednisolone farnesylateprednisolone farnesylate: structure given in first sourceorganic molecular entity
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
7432 sceftibuten : A third-generation cephalosporin antibiotic with a [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino substituent at the 7 position of the cephem skeleton. An orally-administered agent, ceftibuten is used as the dihydrate to treat urinary-tract and respiratory-tract infections.

Ceftibuten: A cephalosporin antibacterial agent that is used in the treatment of infections, including urinary-tract and respiratory-tract infections.
cephalosporin;
dicarboxylic acid
antibacterial drug
trimipramine maleatemaleate saltantidepressant
ro 61-8048C-nitro compound
ssr 125543aSSR125543: a CRF1 receptor antagonist with antidepressant-like effectsamine
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
menatetrenonemenaquinone-4 : A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration.menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent
imipenemcarbapenems
etretinateretinoid : Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.enoate ester;
ethyl ester;
retinoid
keratolytic drug
isotretinoinisotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.

Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
misoprostolmisoprostol : A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form.

Misoprostol: A synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties.
flunarizine hydrochloridediarylmethane
ketotifen fumarateketotifen fumarate : An organoammonium salt consisting of equimolar amounts of ketotifen(1+) and fumarate(1-) ions. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is a non-bronchodilator anti-asthmatic drug.organoammonium saltanti-asthmatic drug;
H1-receptor antagonist
indocyanine green1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
dinoprost tromethamineorganic molecular entity
nizofenone fumaratebenzophenones
dothiepin hydrochlorideDothiepin: A tricyclic antidepressant with some tranquilizing action.dothiepin
neticonazoleneticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections.

neticonazole: RN refers to (E)-isomer
aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide
antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
triprolidinetriprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders.

Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness.
N-alkylpyrrolidine;
olefinic compound;
pyridines
H1-receptor antagonist
rosuvastatin calciumS 4522: structure in first sourceN-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt
anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor
terbinafine hydrochlorideterbinafine hydrochloride : A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.allylamine antifungal drug;
hydrochloride
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
hydrocortisone valeratehydrocortisone valerate: used in treatment of atopic dermatitis; RN given refers to 11beta-isomercortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester
homatropinetropane alkaloid
10-octadecenoic acid, (z)-isomerlong-chain fatty acid
trans-10,cis-12-conjugated linoleic acid(10E,12Z)-octadecadienoic acid : An octadeca-10,12-dienoic acid having (10E,12Z)-configuration.octadeca-10,12-dienoic acid
prostaglandin f2 methyl esterprostaglandin F2 methyl ester: has ocular hypotensive effect; RN given refers to (5Z,9alpha,11alpha,13E,15S)-isomerprostanoid
5-oxo-6,8,11,14-eicosatetraenoic acid5-ketoeicosatetraenoic acid: a nonenzymatic rearrangement product of leukotriene A4; structure given in first source

5-oxo-ETE : An oxoicosatetraenoic acid having a 5-oxo group; and (6E)-, (8Z), (11Z)- and (14Z)-double bonds.
oxoicosatetraenoic acidhuman metabolite;
immunomodulator;
mouse metabolite
n-arachidonylglycineN-arachidonoylglycine : Biologically active derivative of anandamide

N-arachidonylglycine: structure in first source
fatty amide;
N-acylglycine
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
purmorphaminepurmorphamine : A member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group.

purmorphamine: structure in first source
aromatic ether;
morpholines;
purines;
secondary amino compound
osteogenesis regulator;
SMO receptor agonist
sag compound3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide : A member of the class of 1-benzothiophenes that is 3-chloro-1-benzothiophene-2-carboxamide in which the amide nitrogen is substituted by trans-4-(methylamino)cyclohexyl and 3-(pyridin-4-yl)benzyl groups. A smoothened (Smo) receptor agonist that antagonizes cyclopamine action at the Smo receptor. Activates the Hedgehog signaling pathway in a Patched independent manner.

SAG1.3: small molecule smoothened agonist and a partial agonist of FZD6
camostat mesylatemethanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
cyclosporineramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MFhomodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
perhexiline maleate
phenoxybenzamine hydrochlorideorganic molecular entity
phenylethyl 3-methylcaffeatephenylethyl 3-methylcaffeate: a caffeic acid ester present in propolis, a natural resin produced by honey bees; structure given in first source
natamycinantibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic
antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
quercetin
beta-nitrostyrenebeta-nitrostyrene: RN given refers to cpd without isomeric designation
acitretinacitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.

Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate.
acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid
keratolytic drug
dorzolamidedorzolamide : 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.

dorzolamide: topically effective ocular hypotensive carbonic anhydrase inhibitor; RN refers to mono-HCl (4S-trans)-isomer
sulfonamide;
thiophenes
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
dothiepindothiepin
estropipateestropipate: used therapeutically in menopausal patientspiperazinium salt;
steroid sulfate
ethisteroneethisterone : A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol.

Ethisterone: 17 alpha-Hydroxypregn-4-en-20-yn-3-one. A synthetic steroid hormone with progestational effects.
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol
drug metabolite;
progestin
levetiracetamlevetiracetam : A pyrrolidinone and carboxamide that is N-methylpyrrolidin-2-one in which one of the methyl hydrogens is replaced by an aminocarbonyl group, while another is replaced by an ethyl group (the S enantiomer). An anticonvulsant, it is used for the treatment of epilepsy in both human and veterinary medicine.

Levetiracetam: A pyrrolidinone and acetamide derivative that is used primarily for the treatment of SEIZURES and some movement disorders, and as a nootropic agent.
pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
meprednisone21-hydroxy steroid
nalmefenenalmefene: RN given refers to 5-alpha isomermorphinane alkaloid
naloxonenaloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.

Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol
antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
vitamin k 1phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.

Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.
phylloquinones;
vitamin K
cofactor;
human metabolite;
plant metabolite
proscillaridinProscillaridin: A cardiotonic glycoside isolated from Scilla maritima var. alba (Squill).organic molecular entity
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
topiramatetopiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.

Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss.
cyclic ketal;
ketohexose derivative;
sulfamate ester
anticonvulsant;
sodium channel blocker
3',4',7-trihydroxyisoflavone3',4',7-trihydroxyisoflavone : A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'.

3',4',7-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first source
7-hydroxyisoflavonesantineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
6,7,4'-trihydroxyisoflavone4',6,7-trihydroxyisoflavone : A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 6.

6,7,4'-trihydroxyisoflavone: structure in first source
7-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist
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)
as 604850
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
cyclotheonamide acyclotheonamide A: a cyclic peptide isolated from the marine sponge Theonella; structure given in first source
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
topiroxostatFYX-051: xanthine oxidoreductase inhibitor
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
morphineMeconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
n-acetylglucosamine thiazolineN-acetylglucosamine thiazoline: an analog of the oxazolinium bicyclic intermediate leading from N-acetylglucosamine to 1,6-anhydro-N-acetylmuramic acid
as 605240(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione : A quinoxaline derivative that is quinoxaline in which the hydrogen at position 6 is replaced by a (2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl group. It is a potent inhibitor of the PI3Kgamma, with an IC50 of 8 nM and inhibits the progression of joint inflammation and damage in both lymphocyte-independent and dependent mouse models of rheumatoid arthritis.

5-quinoxalin-6-ylmethylenethiazolidine-2,4-dione: a PI3Kgamma inhibitor; structure in first source
quinoxaline derivative;
thiazolidinediones
anti-inflammatory agent;
antirheumatic drug;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
demycarosylturimycin h
su 5402SU 5402: structure given in first source

SU5402 : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.
su 9516
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic 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
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-oneisoindoles
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamideN-alkylpyrrolidine
N-(5-bromo-2-thiazolyl)-3-phenyl-2-(1-pyrrolyl)propanamideamphetamines
4-[[[1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester1,3-oxazoles
2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamidebenzoxazole
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-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanoneisoquinolines
2-[[oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl esteraromatic amide
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamidepyrazoles;
ring assembly
[4-(3-methoxyphenyl)-1-piperazinyl]-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methanonepiperazines
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-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamidepiperazines
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamidearomatic amide
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamidepiperidines
5-[(4-methoxyphenyl)sulfonylmethyl]-N-(3-methoxypropyl)-2-furancarboxamidesulfonamide
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone1,3-oxazoles
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamidetriazoles
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrilearomatic ether
5-amino-1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-4-triazolecarboxamidearomatic amide
6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinonepiperazines
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamideimidazoles
1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamidesulfonamide
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-7-triazolo[4,5-d]pyrimidinonetriazoles
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-oneindoles
ar c67085mxPSB-0413: a selective antagonist radioligand for platelet P2Y12 receptors
mre 3008-f20MRE 3008-F20: InChIKey: CJRNHKSLHHWUAB-UHFFFAOYSA-N
2-methylthio-atp2-methylthio-ATP: purinergic receptors agonist; relaxes mammalian gut preparations; structure given in first source
acipimoxacipimox: lipolysis inhibitorpyrazinecarboxylic acid
adp beta sadenosine 5'-O-(2-thiodiphosphate): partial agonist toward platelet aggregation; see also record for 1-thiodiphosphate cpd
arachidonylcyclopropylamidearachidonylcyclopropylamide: a potent and selective agonist of neuronal cannabinoid receptor; structure in first source
atosibanoligopeptide
beta-funaltrexaminebeta-funaltrexamine: RN given refers to parent cpd(E)-isomer; structure given in first sourcemorphinane alkaloid
bimatoprostBimatoprost: A cloprostenol-derived amide that is used as an ANTIHYPERTENSIVE AGENT in the treatment of OPEN-ANGLE GLAUCOMA and OCULAR HYPERTENSION.monocarboxylic acid amideantiglaucoma drug;
antihypertensive agent
cp 154526
desoximetasonedesoximetasone : Dexamethasone in which the hydroxy group at the 17alpha position is substituted by hydrogen. A synthetic corticosteroid with glucocorticoid activity, it is used as an anti-inflammatory and anti-pruritic in the treatment of various skin disorders, including skin allergies and psoriasis.

Desoximetasone: A topical anti-inflammatory glucocorticoid used in DERMATOSES, skin allergies, PSORIASIS, etc.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-inflammatory drug;
antipruritic drug
olvanilmethoxybenzenes;
phenols
sb 277011SB 277011: structure in first source
pd 180970PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source
w 54011
benzyloxycarbonyl-phe-ala-fluormethylketonecathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).
phenylalanyl-prolyl-arginine methyl chloridephenylalanyl-prolyl-arginine methyl chloride: selective affinity label for thrombin; RN given refers to parent (L-Pro-D-Phe-(S))-isomer
irl 2500IRL 2500: Endothelin-B receptor antagonist; structure in first source
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
l 365260L 365260: a CCK-B antagonist; structure given in first source; potent & selective CCK-B & gastrin receptor ligand; L 365260 and L 365346 are (R)- and (S)-stereoisomers, respectivelybenzodiazepine
lacidipinecinnamate ester;
tert-butyl ester
dl-threo-beta-benzyloxyaspartate
latanoprostlatanoprost : A prostaglandin Falpha that is the isopropyl ester prodrug of latanoprost free acid. Used in the treatment of open-angle glaucoma and ocular hypertension.

Latanoprost: A prostaglandin F analog used to treat OCULAR HYPERTENSION in patients with GLAUCOMA.
isopropyl ester;
prostaglandins Falpha;
triol
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
ly 320135LY 320135: cannabinoid receptor antagonist; structure in first sourcebenzofurans
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl esterDAPT : A dipeptide consisting of alanylphenylglycine derivatised as a 3,5-difluorophenylacetamide at the amino terminal and a tert-butyl ester at the carboxy terminal. A gamma-secretase inhibitor.carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester
EC 3.4.23.46 (memapsin 2) inhibitor
cytochalasin bcytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments.

Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound
actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
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
nateglinidenateglinide : An N-acyl-D-phenylalanine resulting from the formal condensation of the amino group of D-phenylalanine with the carboxy group of trans-4-isopropylcyclohexanecarboxylic acid. An orally-administered, rapidly-absorbed, short-acting insulinotropic agent, it is used for the treatment of type 2 diabetes mellitus.

Nateglinide: A phenylalanine and cyclohexane derivative that acts as a hypoglycemic agent by stimulating the release of insulin from the pancreas. It is used in the treatment of TYPE 2 DIABETES.
phenylalanine derivative
n-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamideN-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide: a nociceptin antagonist; structure in first sourceaminoquinoline
l803087L-803087 : A fluoroindole that is 1H-indole substituted by phenyl, 4-{[(2S)-5-carbamimidamido-1-methoxy-1-oxopentan-2-yl]amino}-4-oxobutyl, fluoro and fluoro groups at positions 2, 3, 5 and 7, respectively. It is a selective nonpeptidic agonist of the somatostatin subtype-4 (SST4) receptor with Ki of 0.7 nM.

L803087: structure in first source
benzenes;
fluoroindole;
guanidines;
L-arginine derivative;
methyl ester;
phenylindole;
secondary carboxamide
somatostatin receptor agonist
cgp 77675CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source
pd 166285
ry 80
sb 223412SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source
sr 59230atetralins
stiripentolstiripentol: structure
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
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamidepyrimidines
cgp 71683 anaphthalenes;
sulfonic acid derivative
kn 62KN 62: inhibitor of Ca/calmodulin-dependent protein kinase IIpiperazines
gw627368x
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 258719
sb 271046SB 271046: 5-HT(6) receptor antagonist; structure in first source
bilobetinbilobetin: a phospholipase A2 antagonistflavonoid oligomer
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
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
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
ethyl caffeate(E)-ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: structure in first source

ethyl trans-caffeate : An ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol.
alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid
anti-inflammatory agent;
antineoplastic agent;
metabolite
eupatineupatin : A trimethoxyflavone that is quercetagetin methylated at positions 4', 6 and 7.flavonols;
trihydroxyflavone;
trimethoxyflavone
(E)-3-(2-Hydroxyphenyl)-2-propenalcinnamaldehydes
hydroxygenkwaninhydroxygenkwanin: isolated from leaves of Daphne genkwaether;
flavonoids
andrographolidecarbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol
anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
isocryptomerinisocryptomerin: an antifungal agent isolated from Selaginella tamariscina; structure in first source
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
isorhamnetin 3-o-glucosideisorhamnetin 3-O-beta-D-glucopyranoside : A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue.

isorhamnetin 3-O-glucoside: from the flowers of Persea gratissima; structure in first source
beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone
metabolite
licochalcone alicochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomerchalcones
4-methylesculetin4-methylesculetin: has antiinflammatory activity

6,7-dihydroxy-4-methylcoumarin : A hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp.
hydroxycoumarinanti-inflammatory agent;
antioxidant;
hyaluronan synthesis inhibitor
methyl brevifolincarboxylatemethyl brevifolincarboxylate : An organic heterotricyclic compound that is 1,2,3,5-tetrahydrocyclopenta[c]isochromene substituted by hydroxy groups at positions 7, 8 and 9, oxo groups at positions 3 and 5 and a methoxycarbonyl group at position 1. Isolated from Phyllanthus urinaria and Phyllanthus niruri, it exhibits vasorelaxant activity.

methyl brevifolincarboxylate: isolated from Phyllanthus urinaria; structure in first source
cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent
methyl-p-coumarate4-coumaric acid methyl ester : A cinnamate ester that is the methyl ester of 4-coumaric acid.

methyl-p-coumarate: structure in first source
4-coumaric acid methyl ester
3-deoxysappanchalcone2'-O-methylisoliquiritigenin : A member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2' is replaced by a methoxy group.

3-deoxysappanchalcone: Anti-allergic from the roots and heartwood of Caesalpinia sappan; structure in first source
chalcones;
monomethoxybenzene;
phenols
metabolite
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
salazinic acidsalazinic acid: lichen metabolite; structure in first source
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
5,4'-dihydroxy-3,6,7-trimethoxyflavone5,4'-dihydroxy-3,6,7-trimethoxyflavone: from Microliabum polymnioides; structure in first source
podocarpusflavone apodocarpusflavone A: isolated from Podocarpus imbricatusflavonoid oligomer
tilirosidetiliroside: isolated from seeds of Eremocarpus setigeruscinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
plant metabolite
spiraeosidequercetin 4'-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 4'.

spiraeoside: from flowers of Filipendula ulmaria (L.); structure given in first source
beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antineoplastic agent;
antioxidant;
plant metabolite
atractylenolide iatractylenolide I: from Atractylodes macrocephala Koidz; structure in first source
tazettinetazettine: from Amaryllidaceaeindole alkaloid;
indole alkaloid fundamental parent
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
4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acidquinolines
furazolidone
1-Ethyl-9H-pyrido[3,4-b]indoleharmala alkaloid
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
granulatimidegranulatimide: minor alkaloids of the Brazilian ascidian Didemnum; structure in first source
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.
spd-304SPD-304: structure in first source
arcyriaflavin aarcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first sourceindolocarbazole
pd 089828PD 089828: structure in first source
pd 166866PD 166866: structure in first source

PD-166866 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM.
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pd 161570PD 161570: structure in first source
pd-173952
ag 538AG 538: an IGF-1 receptor kinase inhibitor; structure in first source
ag 99tyrphostin A46: epidermal growth factor-urogastrone receptor antagonist
tyrphostin ag 555
tyrphostin ag-494AG 494: tyrphostin that blocks Cdk2 activation; structure in first source
tyrphostin b44tyrphostin B44: inhibits protein kinases; an analog of tyrphostin B46; B44(+) is B50, and is the stereoisomer of B44(-)
ag 556AG 556: structure given 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
ag 183AG 183: structure given in first source
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
n,n'-dimethyl-n,n'-bis(mercaptoacetyl)hydrazineN,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine: used to reduce disulfide bonds; structure in first source
m475271AZM475271: a Src family kinase inhibitor
pd 0183812PD 0183812: inhibits CDK4 and CDK6; 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
fosbretabulinstilbenoid
5-hydroxy-3,3',4',7-tetramethoxyflavone5-hydroxy-3,3',4',7-tetramethoxyflavone : A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3',4' and 7.

5-hydroxy-3,7,3',4'-tetramethoxyflavone: from the rhizome of Kaempferia parviflora; inhibits monocyte adhesion and cellular reactive oxygen species production in human umbilical vein endothelial cells
3'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone
plant metabolite
guttiferone aguttiferone A: antibacterial from Clusiaceae family; 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
bay 11-7082(E)-3-tosylacrylonitrile : A nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells.nitrile;
sulfone
apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
bay 11-7085BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB.benzenes;
nitrile;
sulfone
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor
(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
molsidomineethyl ester;
morpholines;
oxadiazole;
zwitterion
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
methyl-3-methoxy-4-hydroxystyryl ketonemethyl-3-methoxy-4-hydroxystyryl ketone: structure given in first source; RN given refers to cpd without isomeric designationhydroxycinnamic acid
5,7-dihydroxy-4-methylcoumarinhydroxycoumarin
octylmethoxycinnamatecinnamate ester
7,8-dihydroxy-4-methylcoumarin7,8-dihydroxy-4-methylcoumarin: possess strong antioxidant and radical scavenging activities; structure in first sourcehydroxycoumarin
oleylamineoleylamine: promotes fusion of mouse A(9) fibroblasts; RN given refers to parent cpd with unspecified isomeric designation; structure
methyl ferulatemethyl ferulate: inhibits LDL oxidation; isolated from Chrysanthemum coronarium; structure in first source

trans-methylferulate : A cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata.
cinnamate ester;
guaiacols;
methyl ester
plant metabolite
Isoliquiritigenin 4,4'-dimethyl etherchalcones
auriculasinauriculasin: isolated from the fruits of Maclura pomifera; structure in first sourceisoflavanones
2-amino-6-chloropurine6-chloroguanine : An organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6.

6-chloroguanine: an antimalarial that inhibits hypoxanthine-guanine-xanthine phosphoribosyltransferase; structure in first source
2-aminopurines;
organochlorine compound
naltrexonenaltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.

Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound
antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphandextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.

Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.
6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
butorphanolbutorphanol : Levorphanol in which a hydrogen at position 14 of the morphinan skeleton is substituted by hydroxy and one of the hydrogens of the N-methyl group is substituted by cyclopropyl. A semi-synthetic opioid agonist-antagonist analgesic, it is used as its (S,S)-tartaric acid salt for relief or moderate to severe pain.

Butorphanol: A synthetic morphinan analgesic with narcotic antagonist action. It is used in the management of severe pain.
morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
fluvoxamine
cefodizimecefodizime : A cephalosporin compound having 5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.

cefodizime: RN given refers to (6R-(6alpha,7beta(Z)))-isomer
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor
cefiximecephalosporinantibacterial drug;
drug allergen
delaprilpeptide
lisinoprilLisinopril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used in the treatment of hypertension and congestive heart failure.dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
lotensinhydrochlorideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazeprilbenazepril : A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure.

benazepril: structure given in first source
benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
ramiprilquark : Quarks comprise one of two classes of the fundamental particles. Quarks possess fractional electric charges and are not observed in free state. The word "quark" first appears in James Joyce's Finnegans Wake and has been chosen by Murray Gell-Mann as a name for fundamental building blocks of particles.

ramipril : A dipeptide that is the prodrug for ramiprilat, the active metabolite obtained by hydrolysis of the ethyl ester group. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure.

Ramipril: A long-acting angiotensin-converting enzyme inhibitor. It is a prodrug that is transformed in the liver to its active metabolite ramiprilat.
azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester
bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
tamsulosin hydrochloridetamsulosin hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of tamulosin and hydrogen chloride.hydrochloridealpha-adrenergic antagonist;
antineoplastic agent
verteporfin(2R,2(1)S)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid : The 2(1),2(2),17-trimethyl ester of (2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid.
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
indinavir sulfateIndinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide
HIV protease inhibitor
zimeldineZimeldine: One of the SEROTONIN UPTAKE INHIBITORS formerly used for depression but was withdrawn worldwide in September 1983 because of the risk of GUILLAIN-BARRE SYNDROME associated with its use. (From Martindale, The Extra Pharmacopoeia, 29th ed, p385)styrenes
methopreneMethoprene: Juvenile hormone analog and insect growth regulator used to control insects by disrupting metamorphosis. Has been effective in controlling mosquito larvae.isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate;
isopropyl ester
juvenile hormone mimic
monomethyl fumaratemonomethyl fumarate : A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxy groups of fumaric acid with methanol. Is is a metabolite of dimethyl fumarate and used for the the treatment of patients with relapsing multiple sclerosis (MS). It also induces the NFE2L2 (Nrf2) transcription factor by binding to KEAP1.dicarboxylic acid monoester;
enoate ester;
methyl ester
antioxidant;
drug metabolite;
immunomodulator
2-Phenylethyl 3-phenyl-2-propenoatecinnamate ester
cinnamedrinecinnamedrine: RN given refers to parent cpd without isomeric designation
grifolingrifolin: antibiotic isolated from Grifola confluenssesquiterpenoid
cinoxate
5-(4-methoxybenzylidene)thiazolidine-2,4-dione5-(4-methoxybenzylidene)thiazolidine-2,4-dione: used to treat concanavalin A-induced liver injury; structure in first source
7-hydroxyisoflavone7-hydroxyisoflavone : The simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7.

7-hydroxyisoflavone: effective against, Enterovirus 71; structure in first source
7-hydroxyisoflavonesEC 1.14.14.14 (aromatase) inhibitor;
metabolite
2-(4-(dimethylamino)styryl)benzothiazole2-(4-(dimethylamino)styryl)benzothiazole: structure in first source
norstictic acidnorstictic acid: from Xanthoparmelia chlorochroa; 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
4,3',5'-tri-o-methylpiceatannol
ajoeneajoene: major antiplatelet compound in methanol extract of garlic; also inhibits trypanothione reductase.sulfoxide
3,3',4,5'-tetramethoxy-trans-stilbene(E)-3,4,3',5'-tetramethoxystilbene: from the leaves of Eugenia rigida; structure in first source
3,4',5-trimethoxystilbene3,4',5-trimethoxystilbene: structure in first source
1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
bedaquilinebedaquiline : A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.

bedaquiline: a diarylquinoline Antitubercular Agent
aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound
antitubercular agent;
ATP synthase inhibitor
sanglifehrin asanglifehrin A: binds cyclophilin A; isolated from Streptomyces; structure in first source
enalapril maleateenalapril maleate : The maleic acid salt of enalapril. It contains one molecule of maleic acid for each molecule of enalapril. Following oral administration, the ethyl ester group of enalapril is hydrolysed to afford the corresponding carboxylic acid, enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor. Enalapril is thus a prodrug for enalaprilat (which, unlike enalapril, is not absorbed by mouth), and its maleate is used in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients.maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
enalaprilenalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).

Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.
dicarboxylic acid monoester;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
trimebutine maleate salttrihydroxybenzoic acid
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
3-(1-benzimidazolyl)-6-ethyl-7-hydroxy-1-benzopyran-4-onechromones
3,7-dihydroxyflavone3,7-dihydroxyflavone: structure in first source

7-hydroxyflavonol : Any flavonol carrying a 7-hydroxy substituent.
hydroxyflavan
3-cyano-7-hydroxycoumarin3-cyano-7-hydroxycoumarin: structure given in first source
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.
zimeldine
ternatin (flavonoid)ternatin (flavonoid): from Sceptridium ternatum; also isolated from Egletes viscosa; structure in first sourceether;
flavonoids
cisplatindiamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
bleomycinbleomycinantineoplastic agent;
metabolite
crotonic acid betainecrotonic acid betaine: RN given refers to inner salt without isomeric designation4-(trimethylammonio)but-2-enoate
enkephalin, ala(2)-mephe(4)-gly(5)-peptide
enalaprilat anhydrousenalaprilat (anhydrous) : Enalapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid. Enalaprilat is an angiotensin-converting enzyme (ACE) inhibitor and is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is given by intravenous injection, usually as the dihydrate.

enalaprilat dihydrate : The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection.

Enalaprilat: The active metabolite of ENALAPRIL and one of the potent, intravenously administered, ANGIOTENSIN-CONVERTING ENZYME INHIBITORS. It is an effective agent for the treatment of essential hypertension and has beneficial hemodynamic effects in heart failure. The drug produces renal vasodilation with an increase in sodium excretion.
dicarboxylic acid;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
quinaldine bluequinaldine blue: RN given refers to chloride; structurecyanine dye;
organic iodide salt
fluorochrome
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
imidaprilimidapril : A member of the class of imidazolidines that is (4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid in which the hydrogen of the imidazolidine nitrogen has been substituted by (1S)-1-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}ethyl group. It is the prodrug for imidaprilat, an ACE inhibitor used for the treatment of chronic heart failure.

imidapril: structure given in first source
dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
imidaprilatimidaprilat : A member of the class of imidazolidines that is imidapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of imidapril used to treat hypertension.

imidaprilat: structure given in first source; active metabolite of imidapril
dicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound
antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
4',7,8-trihydroxyisoflavone4',7,8-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first sourceisoflavones
2,3-dehydrosilybindehydrosilybin: inhibits cytochrome P450 1A1 catalytic activity; structure in first sourceflavonolignan
s-trans,trans-farnesylthiosalicylic acidfarnesylthiosalicylic acid: structure in first sourcesesquiterpenoid
bergamottinbergamottin: constituent of bergamot oil; structure given in first sourcefuranocoumarinmetabolite
artepillin cartepillin C: RN refers to (E)-isomer
sulindac sulfonesulindac sulfone : A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor.

sulindac sulfone: inhibits K-ras-dependent cyclooxygenase-2; sulfated analog of indomethacin;; CP248 is an antineoplastic agent that fosters microtubule depolymerization; structure in first source
monocarboxylic acid;
organofluorine compound;
sulfone
apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
thunberginol bthunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source
cinanserincinanserin : An aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication.

Cinanserin: A serotonin antagonist with limited antihistaminic, anticholinergic, and immunosuppressive activity.
aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound
anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
alanyl-alanyl-alanineAla-Ala-Ala : A tripeptide composed of three L-alanine units joined by peptide linkages.

alanyl-alanyl-alanine: RN given refers to all (L)-isomer
tripeptidemetabolite
pepstatinpepstatin: inhibits the aspartic protease endothiapepsinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
ximelagatranximelagatran : A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.

ximelagatran: prodrug (via hydroxylation) of melagatran & a direct thrombin inhibitor; liver toxicity concerns so AZD0837 being developed to replace this
amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
cefuroxime3-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether
drug allergen
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepimecefepime : A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.

Cefepime: A fourth-generation cephalosporin antibacterial agent that is used in the treatment of infections, including those of the abdomen, urinary tract, respiratory tract, and skin. It is effective against PSEUDOMONAS AERUGINOSA and may also be used in the empiric treatment of FEBRILE NEUTROPENIA.
cephalosporin;
oxime O-ether
antibacterial drug
l 685458L 685458: a gamma-secretase inhibitor; structure in first source

L-685,458 : A peptide and carboxamide that is L-leucyl-L-phenylalaninamide, L-Leu-L-Phe-NH2, which has been acylated on the N-terminus by a Phe-Phe hydroxyethylene dipeptide isotere, 2R-benzyl-5S-tert-butoxycarbonylamino-4R-hydroxy-6-phenylhexanoic acid. Compounds based on the structure of L-685,458 are potent inhibitors of gamma-secretase, which mediates the final catalytic step that generates the amyloid beta-peptide (Abeta), which assembles into the neurotoxic aggregates in the brains of sufferers of Alzheimer's disease.
carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol
EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic
1,3,5,6-tetrahydroxyxanthone1,3,5,6-tetrahydroxyxanthone: from roots of Cudrania cochinchinensis
pd 144795
Norartocarpetinflavones
urolithin durolithin D: has antiproliferative activity; structure in first sourcehydroxycoumarin
sequoiaflavonesequoiaflavone: Isolated from Ginkgo biloba; structure in first source
alanylalanineL-alanyl-L-alanine : A dipeptide consisting of two L-alanine units joined by a peptide linkage.dipeptide;
dipeptide zwitterion
Mycoplasma genitalium metabolite
penicillin v1,1'-diethyl-2,2'-cyanine;
quinolines
ici 118551ICI 118551 : An indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer).

ICI 118551: RN given refers to (R*,R*)-(+-)-isomer; structure in first source; ICI 111581 is hydrochloride of ICI 118551
aromatic ether;
indanes;
secondary alcohol;
secondary amino compound
beta-adrenergic antagonist
trandolapriltrandolapril : A heterobicylic compound that is (2S,3aR,7aS)-1-[(2S)-2-aminopropanoyl]octahydro-1H-indole-2-carboxylic acid in which the hydrogen of the amino group is substituted by a (2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl group. It is a angiotensin-converting enzyme inhibitor and a prodrug used for the treatment of hypertension.dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
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
cp 135807CP 135807: a 5-HT(1D) agonist; RN given for (R)-isomer
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
tiotropiumtiotropium : A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
phenylalanylalaninePhe-Ala : A dipeptide formed from L-phenylalanine and L-alanine residues.

phenylalanylalanine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
metabolite
alvimopan anhydrousalvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for painpeptide
ildamen
w-13
avicularinavicularin : A quercetin O-glycoside in which an alpha-L-arabinofuranosyl residue is attached at position 3 of quercetin via a glycosidic linkage. It is isolated particularly from Juglans regia and Foeniculum vulgare.

avicularin: from Polygonum aviculare L.; RN given refers to L-isomer
alpha-L-arabinofuranoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
hepatoprotective agent;
plant metabolite
n(alpha)-phosphorylalanylprolineN(alpha)-phosphorylalanylproline: inhibitor of angiotensin converting enzyme; RN given refers to (L)-isomer
adenosine 5'-diphosphate 2',3'-dialdehyde
alpha-aspartylalaninealpha-aspartylalanine: found in pig brain

Asp-Ala : A dipeptide formed from L-alpha-aspartyl and L-valine residues.
dipeptidemetabolite
ochnaflavoneochnaflavone : A biflavonoid with an ether linkage between the B-rings of the apigenin and luteolin subunits. It has been isolated from several members of the Ochnaceae plant family.

ochnaflavone: from Lonicera japonica; structure given in first source
aromatic ether;
biflavonoid;
hydroxyflavone
anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
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
6-mercapto-7-methylguanosine6-mercapto-7-methylguanosine: structure given in first source
vx680N-arylpiperazine
beta-Mangostinxanthones
9-Hydroxycalabaxanthonexanthones
alanyltyrosineTyr-Ala : A dipeptide formed from L-tyrosine and L-alanine residues.dipeptidemetabolite
otamixabanotamixaban: structure in first source
n'-((1e)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazideN'-((1E)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide: structure in first source
guanabenzGuanabenz: An alpha-2 selective adrenergic agonist used as an antihypertensive agent.dichlorobenzene
hydrocortisone acetate, (11beta)-isomer
ethaverine hydrochloride
famotidine1,3-thiazoles;
guanidines;
sulfonamide
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
fendiline hydrochloride
bromhexine hydrochloridebromhexine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of bromhexine and hydrogen chloride. It is used as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum).hydrochloridemucolytic
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
3,3'-diethylthiacarbocyanine iodidebenzothiazoles;
cyanine dye
fluorochrome
2-(dimethylaminostyryl)-1-ethylpyridiniumcyanine dye;
organic iodide salt
HTS 01037ring assembly;
thiophenes
4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-onepyridazines;
ring assembly
chloride of pseudoisocyanine1,1'-diethyl-2,2'-cyanine halide;
organic chloride salt
cefotaximecefotaxime : A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.

Cefotaxime: Semisynthetic broad-spectrum cephalosporin.
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen
brecanavirbrecanavir: HIV protease inhibitor
nw 1029Ralfinamide: Sodium Channel Blocker; structure in first source
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
N-(1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamidehydroxyindoles
dienestrol diacetate
derrubonederrubone: an inhibitor of the Hsp90 protein folding machinery from Derris robusta; structure in first sourceisoflavanones
2',5'-dihydroxychalcone2',5'-dihydroxychalcone: structure given in first sourcechalcones
geiparvaringeiparvarin: from Geijera parviflora; structure given in first source
benzyl caffeatebenzyl caffeate: isolated from Liaoxi propolis
gw-5074
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2naphthalenes
obtusaquinoneobtusaquinone: RN given refers to cpd without isomeric designation; structure given in first source
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanonepiperazines;
pyridines
metochalconemetochalcone: structure
nf023
nf 449
phenyl-3-methoxy-4-hydroxystyryl ketonephenyl-3-methoxy-4-hydroxystyryl ketone: structure given in first source
3,5-di-tert-butylchalcone 4'-carboxylic acid3,5-di-tert-butylchalcone 4'-carboxylic acid: inducer of differentiation; induces suppression of c-mos expression in teratocarcinoma cell; structure given in first source
nitrovinNitrovin: An antibacterial growth promoter used in animal feeds.C-nitro compound;
furans
3,5-dihydroxy-4'-methoxystilbene4'-methoxyresveratrol: has anti-inflammatory effects in cell culture model
cci 15641cephalosporin
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
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
uk 81,252sampatrilat: structure in first source
benzeneselenolbenzeneselenol: RN given refers to parent cpd
cefpodoximecarboxylic acid;
cephalosporin
antibacterial drug
3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl esterimidazoles
selenocyanic acidorganic radical
tenofovir disoproxil fumaratetenofovir disoproxil fumarate : A fumarate salt prepared from equimolar amounts of tenofovir disoproxil and fumaric acid. It is used in combination therapy for the treatment of HIV infection.fumarate saltantiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
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
N-(3,4-dichlorophenyl)-6-(1-imidazolyl)-3-pyridazinaminedichlorobenzene
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanonearomatic ketone
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-(3-methylphenyl)acetamideanilide
N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinaminemorpholines
GSK3-XIIIGSK3-XIII : A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups.aromatic amine;
pyrazoles;
quinazolines;
secondary amino compound
EC 2.7.11.26 (tau-protein kinase) inhibitor
(-)-catechin-3-O-gallate(-)-catechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin.flavans;
gallate ester;
polyphenol
metabolite
hesperidinflavonoids;
glycoside
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
prolylglycineL-prolylglycine : A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen.

prolylglycine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
lasalocid sodiumlasalocid sodium : The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry.benzoates;
organic sodium salt
coccidiostat;
ionophore
aspartyllysineAsp-Lys : A dipeptide formed from L-alpha-aspartyl and L-lysine residues.

aspartyllysine: from feces of axenic mice
dipeptidemetabolite
diphenoxylate hydrochloridediphenoxylate hydrochloride : The hydrochloride salt of diphenoxylate.hydrochlorideantidiarrhoeal drug
eniporideeniporide: inhibits NHE-1 isoform; structure in first source
ac-5216
zoniporidezoniporide: inhibits sodium-hydrogen exchanger isoform-1 (NHE-1)
dexbrompheniramine maleatedexbrompheniramine maleate : The maleic acid salt of the (pharmacologically active) (S)-(+)-enantiomer of brompheniramine. A histamine H1 receptor antagonist, it is used for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.brompheniramine maleateanti-allergic agent;
H1-receptor antagonist
avermectin b(1)aavermectin B(1)a: RN given refers to avermectin B(1)a; see also avermectins & demethylavermectinsavermectin
flupirtine
cilastatincarboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide
EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
sclerotiorinsclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first sourceazaphilone
bornelone
9-cis-retinal9-cis-retinal : A retinal in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.retinal
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
nitrocefinnitrocefin: chromogenic cephalosporin used for detection of beta-lactamase activity; Cefinase is name for nitrocefin on paper disc; RN given refers to (6R-(3(E),6 alpha,7 beta))-isomer; structure for mono-Na salt in second source
rifaximinacetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative
antimicrobial agent;
gastrointestinal drug;
orphan drug
bafilomycin a1bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.

bafilomycin A1: from Streptomyces griseus; structure given in first source
cyclic hemiketal;
macrolide antibiotic;
oxanes
apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin
aminoethoxyvinylglycineaminoethoxyvinylglycine: RN given for (S-(E))-isomer
triticonazoletriticonazole : A racemate comprising equal amounts of (R)- and (S)-triticonazole. A seed treatment fungicide for the control of common bunt, loose smut and covered smut on barley, oats and wheat.

triticonazole: a fungicide triticonazole
salanninsalannin : A limonoid with insecticidal activity isolated from Azadirachta indica.

salannin: from seeds of neem tree, Azadirachta indica; inhibits 20-monooxygenase; structure given in first source
acetate ester;
furans;
limonoid;
methyl ester;
organic heteropentacyclic compound
antifeedant;
insect growth regulator;
plant metabolite
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
lumefantrinelumefantrine : A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria.

Lumefantrine: A fluorene derivative that is used in combination with ARTEMETHER for the treatment of MALARIA (see ARTEMETHER-LUMEFANTRINE DRUG COMBINATION).
fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine
antimalarial
piericidin 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
n-(2-hydroxyethyl)retinamideN-(2-hydroxyethyl)retinamide: RN given refers to cpd without isomeric designation
ozagrel, monohydrochloride, (e)-isomerorganic molecular entity
dehydrocurvularin
bwa 4c
n-acetyl-s-farnesylcysteineN-acetyl-S-farnesylcysteine: inhibits prenyl-cysteine carboxyl methyl transferasessesquiterpenoid
cryptophycin 1
chaetoglobosin Acytochalasan alkaloid;
epoxide;
indoles;
macrocycle;
secondary alpha-hydroxy ketone
Chaetomium metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acidN(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid : A monocarboxylic acid amide obtained by the formal condensation of the terminal amino group of 3-amino-L-alanine with the carboxy group of (2E)-4-methoxy-4-oxobut-2-enoic acid.

N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid: inhibits glucosamine synthetase in E coli; structure given in first source; RN given refers to (S-(E)-isomer)
enoate ester;
methyl ester;
monocarboxylic acid amide
metabolite
broussochalcone abroussochalcone A: RN given for (E)-isomer; inhibits neutrophil respiratory burst; structure 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
2-crotonyloxymethyl-2-cyclohexenone2-crotonyloxymethyl-2-cyclohexenone: structure given in first source
mdl 27048MDL 27048: structure given in first source; powerful & reversible microtubule inhibitor
enofelast
ici d1542ICI D1542: redirects arachidonic acid metabolism; an inhibitor of thromboxane A2 synthetase and of thromboxane receptors
rupintrivirrupintrivir: a rhinovirus 3C protease inhibitor
drupaninDrupanin: anti-oxidant and anti-cancer; structure in first source
caftaric acidhydroxycinnamic acid
valerenic acidvalerenic acid : A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant.

valerenic acid: a saturated oplopanone type indene from Valeriana officinalis
carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid
GABA modulator;
plant metabolite;
sedative;
volatile oil component
kolavenic acidkolavenic acid: from Polyalthia longifolia; structure given in first source; RN given refers to (1S-(1alpha(E),2beta,4abeta,8aalpha))-isomer; RN for cpd without isomeric designation not avail 3/92
lithospermic acid
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
guineensineguineensine: an Acyl-CoA: cholesterol acyltransferase inhibitor, from the fruits of Piper longum; structure in first sourcbenzodioxoles
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
13-oxo-9,11-octadecadienoic acid13-oxo-9Z,11E-ODE : An oxooctadecadienoic acid that consists of 9Z,11E-octadecadienoic acid bearing an additional 13-keto substituent. In addtion it has been found as a natural product found in Carthamus oxyacantha.13-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite
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
fomene
gavestinel
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
oc 144-093OC 144-093: inhibits P-glycoprotein-mediated drug resistance; structure in first source
pai 039tiplaxtinin: inhibitor of plasminogen activator inhibitor-1indole-3-acetic acids
su 4312SU4312 : A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.
netupitantnetupitant : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid with the secondary amino group of N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine; an antiemetic used in combination with palonosetron hydrochloride (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.

netupitant: orally active neurokinin-1 receptor antagonist
aminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes
antiemetic;
neurokinin-1 receptor antagonist
salacinolsalacinol: a sulfated thiosugar from Salacia reticulata (CELASTRACEAE); structure in first source
allolactoseglycosylglucoseEscherichia coli metabolite
1-(3-methoxyphenyl)-3-[2-(methylthio)phenyl]ureaureas
1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylureaureas
(melle-4)cyclosporin(melle-4)cyclosporin: a non-immunosuppressive analog of cyclosporin A
2',4',6'-trihydroxychalconepinocembrin chalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2', 4' and 6' respectively.

pinocembrin chalcone: isolated from Helichrysum trilineatum; structure in first source
chalconesantifungal agent;
plant metabolite
4,5-di-O-caffeoylquinic acidquinic acid
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.
cyclosporin gcyclosporin G: similar immunosuppressive actions as cyclosporin, but without nephrotoxic side effects; cyclosporin A analog; MW 1217
daurichromenic aciddaurichromenic acid: structure in first source
methyl chlorogenatemethyl chlorogenate: from Eriobotrya japonica; structure in first sourcequinic acid
isoacteosideisoacteoside: a phenylethanoid glycoside isolated from Indian paintbrush (Verbenaceae) Castilleja linariaefolia; also in other plants; structure given in first sourcehydroxycinnamic acid
scy-635
Methyl rosmarinatehydroxycinnamic acid
N-[3-(7-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxamidearomatic amide
tanespimycinCP 127374: analog of herbimycin A1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
clovamideclovamide: RN given for (Z)-isomer; structure in first sourcetyrosine derivative
manzamine amanzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26).

manzamine A: RN given refers to (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92
alkaloid;
beta-carbolines;
isoquinolines
animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite
verlukastverlukast: LTD4 receptor antagonist
cefpodoxime proxetilcefpodoxime proxetil : The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis.

cefpodoxime proxetil: structure given in first source; prodrug for cefpodoxime
carboxylic acid;
carboxylic ester;
cephalosporin
antibacterial drug;
prodrug
ceftizoximecephalosporinantibacterial drug
1-azakenpaullone1-azakenpaullone : An organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively.lactam;
organic heterotetracyclic compound;
organobromine compound;
organonitrogen heterocyclic compound
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazolearyl sulfide
a 419259
gdp 366GDP 366: an antineoplastic agent; structure in first source
1-methyl-d-lysergic acid butanolamideergot alkaloid;
monocarboxylic acid amide
serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
norgestimateketoxime;
steroid ester;
terminal acetylenic compound
contraceptive drug;
progestin;
synthetic oral contraceptive
fluphenazine
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
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide
cb 34CB 34: ligand for peripheral benzodiazepine receptors; structure in first source
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
dilazep(2+)dilazep(2+) : A tertiary ammonium ion that is the conjugate acid of dilazep resulting from the protonation of the two amino groups of the diazepane moiety.tertiary ammonium ion
dihydrexidinephenanthridines
gw2974GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2pyridopyrimidine
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)
dibenzheptropine citratedeptropine citrate : A citrate salt that is the dihydrogen citrate salt of deptropamine.
gabexate methanesulfonatebenzoate ester;
guanidines;
methanesulfonate salt
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(-)-isomeracetamides
am 404anilide
5-ia-85380aromatic ether
ro 25-6981Ro 25-6981 : A member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor.

Ro 25-6981: blocks NMDA receptors containg NR2B subunit; structure in first source
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound
anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
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
iem 1460IEM 1460: structure in first source
lactacystinlactam;
S-substituted L-cysteine
ca 074 methyl ester
2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethanolthiopurine
2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl esternaphthalenes;
sulfonic acid derivative
N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamidearomatic amide
2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acidacridines
N-(4-ethylphenyl)-3-(1-pyrrolyl)propanamideanilide
(2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamideindoles
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
methampicillinmetampicillin : A penicillin compound having a 6beta-(2R)-2-(methylideneamino)-2-phenylacetamido side-group.

methampicillin: RN given refers to parent cpd(2S-(2alpha,5alpha,6beta(S*)))-isomer
penicillin;
penicillin allergen
nifurtimoxNifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.nitrofuran antibiotic
6-hydroxybenzothiazide-2-sulfonamide6-hydroxybenzothiazide-2-sulfonamide: structure given in first source
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
snj-1945((1S)-1-((((1S)-1-benzyl-3-cyclopropylamino-2,3-di-oxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester: calpain inhibitor
Garcinolic acidpyranoxanthones
3-nitrobenzaldehyde isonicotinoylhydrazone3-nitrobenzaldehyde isonicotinoylhydrazone: structure in first source
2-(quinolin-2-ylmethylene)hydrazinecarbothioamide2-(quinolin-2-ylmethylene)hydrazinecarbothioamide: a topoisomerase II alpha inhibitor; has antineoplastic activity; structure in first source
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
fk 866N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first sourcebenzamides;
N-acylpiperidine
roxithromycin(E)-roxithromycin : A major geometrical isomer of roxithromycin.roxithromycinenvironmental contaminant;
xenobiotic
cefdinircephalosporin;
ketoxime
antibacterial drug
etonogestrel17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound
contraceptive drug;
female contraceptive drug;
progestin
bisoprolol, fumarate (1:1) salt
artesunateartesunic acid: RN given for (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,(2aR*))-isomer; succinic ester of artemetherartemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid
antimalarial;
antineoplastic agent;
ferroptosis inducer
tipredane3-hydroxy steroidandrogen
etoposide phosphatefuronaphthodioxole
dexniguldipineniguldipine: structure given in first source; clinical modulator of multidrug resistancediarylmethane
cilansetroncilansetron: structure given in first source; binds to 5-HT(3) receptors
cefcapene pivoxil hydrochloride
u 62840U 62840: stereoisomeric benzindene prostaglandin analog; structure given in first sourcecarbotricyclic compound;
carboxylic acid
antihypertensive agent;
cardiovascular drug;
human blood serum metabolite;
platelet aggregation inhibitor;
vasodilator agent;
vitamin K antagonist
ciclesonideciclesonide: nasal spray approved for seasonal and perennial allergic rhinitisorganic molecular entity
edelfosine(R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine.1-octadecyl-2-methylglycero-3-phosphocholine
flibanserinbenzimidazoles;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound
antidepressant;
serotonergic agonist;
serotonergic antagonist
napsagatrannapsagatran: structure given in first source
temsirolimusmacrolide lactam
dutasteridedutasteride : An aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.

Dutasteride: A 5-ALPHA-REDUCTASE INHIBITOR that is reported to inhibit both type-1 and type2 isoforms of the enzyme and is used to treat BENIGN PROSTATIC HYPERPLASIA.
(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
ganaxoloneganaxolone: a selective, high-affinity, steroid modulator of the GABA(A) receptor; structure given in first source; RN given refers to (3alpha,5alpha)-isomercorticosteroid hormone
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
tonabersattonabersat: potential antimigraine agent; structure in first source
bay 12-9566Bay 12-9566: an angiogenesis inhibitor with matrix metalloproteinase inhibitory activitybiphenyls;
organochlorine compound
cvt 313CVT 313: a potent inhibitor of CDK2 that prevents neointimal proliferation; structure given in first source
pki 166
tekturnafumarate saltantihypertensive agent
nps2143
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
prasugrel5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate : A member of the class of thienopyridines that is 2-acetoxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the amino hydrogen is replaced by a 2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl group.

prasugrel : A racemate comprising equal amounts of (R)- and (S)-prasugrel. Used (as its hydrochloride salt) to prevent blood clots in people with acute coronary syndrome who are undergoing a procedure after a recent heart attack or stroke, and in people with certain disorders of the heart or blood vessels.
acetate ester;
cyclopropanes;
ketone;
monofluorobenzenes;
tertiary amino compound;
thienopyridine
isavuconazoleisavuconazole : A 1,3-thiazole that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,5-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively. It is an antifungal drug used for the treatment of invasive aspergillosis and invasive mucormycosis.1,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug
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
bibx 1382bsBIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001substituted aniline
5-methoxy-2-phenyl-n,n-dimethyltryptamine
vildagliptinamino acid amide
dalcetrapibdalcetrapib: inhibits cholesteryl ester transfer protein (CETP)anilide
ms-245N,N-dimethyl-2-(1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl)ethylamine: a 5-HT(6) receptor ligand; structure in first source
talabostattalabostat: an antineoplastic agent; structure in first source
mrk 016MRK 016: an inverse agonist of GABA(A) alpha5 receptors; structure in first source
relacatibrelacatib: a cathepsin K inhibitor; structure in first source
6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5h)-one6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5H)-one: a GABA-A alpha5 receptor inverse agonist; structure in first source
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
sb 399885SB 399885: 5-HT6 receptor antagonist
bvt2733
ith 4012
pep0053-ingenyl angelate: protein kinase C agonist and antineoplastic; 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
meso-1,2-diphenylethylenediaminemeso-1,2-diphenylethylenediamine: structure
3-tyrosine3-tyrosine: RN given refers to cpd with unspecified isomeric designation

L-m-tyrosine : A hydroxyphenylalanine that is L-phenylalanine with a substituent hydroxy group at position 3.
hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols
plant metabolite
bentiromidebentiromide : The dipeptide obtained by condensation of N-benzoyl-L-tyrosine with 4-aminobenzoic acid. Used as a noninvasive screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy, it is given by mouth: the amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas.

bentiromide: chymotrypsin labile peptide used diagnostically as an index of exocrine pancreas function
dipeptidediagnostic agent;
indicator;
reagent
phenylalanylglycinePhe-Gly : A dipeptide formed from L-phenylalanine and glycine residues.

phenylalanylglycine: RN given refers to (DL)-isomer
dipeptidemetabolite
glutamylalanineGlu-Ala : A dipeptide formed from L-alpha-glutamyl and L-alanine residues.dipeptidemetabolite
glutaminyl-glycineGln-Gly : A dipeptide formed from L-glutamine and glycine residues.dipeptidemetabolite
methionylglycineMet-Gly : A dipeptide formed from L-methionine and glycine residues.

methionylglycine: RN given refers to (L)-isomer
dipeptidemetabolite
phenylalanylphenylalaninePhe-Phe : A dipeptide formed from two L-phenylalanine residues.dipeptide;
L-aminoacyl-L-amino acid zwitterion
human blood serum metabolite;
Mycoplasma genitalium metabolite
phenylalanyl-valineVal-Phe : A dipeptide formed from L-valine and L-phenylalanine residues.dipeptidemetabolite
alanylglycinedipeptide;
dipeptide zwitterion
metabolite
valyltyrosineVal-Tyr : A dipeptide formed from L-valine and L-tyrosine residues.

valyltyrosine: from sardine muscle hydrolyzate
dipeptidemetabolite
Ala-LysAla-Lys : A dipeptide obtained by formal condensation of the carboxy group of L-alanine with the alpha-amino group of L-lysine.dipeptidemarine metabolite
lysylglycineLys-Gly : A dipeptide formed from L-lysine and glycine residues.

lysylglycine: structure in first source
dipeptidemetabolite
glycylhistidineGly-His : A dipeptide composed of glycine and L-histidine joined by a peptide linkage.

glycylhistidine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
metabolite
acetylcarnitineO-acetyl-L-carnitine : An O-acyl-L-carnitine where the acyl group specified is acetyl. It facilitates movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids.O-acetylcarnitine;
saturated fatty acyl-L-carnitine
human metabolite;
Saccharomyces cerevisiae metabolite
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamidequinolines
1-aminoadenosine1-aminoadenosine: structure
13-epi-sclareol13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source
N-(5-methyl-3-isoxazolyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamidepyridazines;
ring assembly
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
5-Chloro-3-pyridinyl 2-furoatecarboxylic esteranticoronaviral agent
1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acidindolyl carboxylic acid
isoleucyl-tyrosineIle-Tyr : A dipeptide formed from L-isoleucine and L-tyrosine residues.

isoleucyl-tyrosine: a dipeptide with antihypertensive effect
dipeptidemetabolite
2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamidepiperidines
N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamidequinolines
posaconazoleKY02111: promotes cardiac differentiation of pluripotent stem cells; structure in first source
5-(4-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
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
3-(diphenylmethylene)-1-[4-(4-phenyl-1-piperazinyl)butyl]pyrrolidine-2,5-dionediarylmethane
N-[2-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methoxy]-6-quinolinyl]-3-pyridinecarboxamidequinolines
a 770041aromatic amide
bis(7)-tacrinesecondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent
9h-purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-n-(1-methylethyl)-9H-purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-: an epichaperome (purine-scaffold) inhibitor; structure in first source
sl 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.
tws 119pyrroles
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
c 1368
3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)-1-piperazinyl]-1-propanonepiperazines
4-[[[4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl esterbenzothiazine
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamineimidazoles
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide;
thiophenes
6-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamidepyrazolopyrimidine
LSM-34734lignan
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
rhosinrhosin : A D-tryptophan derivative obtained by formal condensation of the carboxy group of D-tryptophan with the amino group of (quinoxalin-6-yl)methylidenehydrazide. It directly targets the Rho GEF binding domain, thereby preventing Rho from interacting with its GEFs

rhosin: contains two aromatic rings tethered by a linker, no other info available 2/2014
D-tryptophan derivative;
hydrazone;
quinoxaline derivative
antineoplastic agent;
RhoA inhibitor;
RhoC inhibitor
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.
fluvoxamine maleate(trifluoromethyl)benzenes
Fezationetoluenes
thioacetazoneThioacetazone: A thiosemicarbazone that is used in association with other antimycobacterial agents in the initial and continuation phases of antituberculosis regimens. Thiacetazone containing regimens are less effective than the short-course regimen recommended by the International Union Against Tuberculosis and are used in some developing countries to reduce drug costs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p217)

thiosemicarbazone : A hydrazone resulting from the formal condensation of an aldehyde or ketone with the non-thioacylated nitrogen of thiosemicarbazide or its substituted derivatives.
phoximphoxim: structure
robenidine
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
gs-7340tenofovir alafenamide : An L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection.

tenofovir alafenamide: component of Biktarvy
6-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester
antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
st 1481ST 1481: structure in first source
bastadin 5
dexlansoprazoleDexlansoprazole: The R-isomer of lansoprazole that is used to treat severe GASTROESOPHAGEAL REFLUX DISEASE.benzimidazoles;
sulfoxide
lassbio 294
gemifloxacin mesylategemifloxacin mesylate : The mesylate salt of gemifloxacin.methanesulfonate saltantimicrobial agent;
topoisomerase IV inhibitor
fosinopril
clasto-lactacystin beta-lactoneclasto-lactacystin beta-lactone: active metabolite of lactacystin; inhibits 20 S proteasome; structure in first source
sodium bisulfate
3,4,4'-trihydroxy-trans-stilbene
sulphostinsulphostin: isolated from Streptomyces; structure in first source
nvp-dpp728
orteronelorteronel: non-steroidal 17,20-lyase inhibitor; structure in first source
ave-8063AVE-8063: has both antivascular and antineoplastic activities; structure in first source
xr 334XR 334: a low molecular weight modulator of human plasminogen activator inhibitor-1 activity; structure given in first source; RN given refers to (Z,Z)-isomer
jnj 10198409
b 4284-iodine-benzo(b)thiophene-2-carboxamidine: structure in first source
l 745337L 745337: a selective inhibitor of cyclooxygenase-2
r 115866N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine : A member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group.

R 115866: structure in first source

talarozole : A racemate comprising equimolar amounts of (R)- and (S)-talarozole. It is used for the treatment of keratinization disorders, psoriasis and acne.
aromatic amine;
benzothiazoles;
secondary amino compound;
triazoles
am-411
pri-2205
[4-(2-amino-4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanonebenzophenones
exp-3179
bms-262084BMS-262084: an azetidinone-based tryptase inhibitor; structure in first source
(R)-paliperidone(R)-paliperidone : A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (R)-enantiomer of paliperidone.3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
birt 377
mk 0752
utibaprilutibapril: structure given in first source; prodrug for FPL 63547 diacid
nt 702
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
az 11645373AZ 11645373: InChIKey: VQEHBLGYANQWEA-UHFFFAOYSA-N
epigallocatechin-3-o-(3''-o-methyl)-gallatecatechin
givinostatcarbamate ester
sc 795
av 412
ym 60828YM 60828: YM-466 is the mesylate salt
reblastatinreblastatin: structure in first source
telatinib
edotecarin
tabimorelintabimorelin: a growth hormone secretagogue; structure in first source
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
ave 0118
biie 0246BIIE 0246: a neuropeptide Y Y2 receptor antagonist; structure in first source
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
timcodartimcodar: a mutlidrug resistance inhibitor; 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
rwj 52353RWJ 52353: an alpha(2D) adrenergic receptor ligand; structure in first source
5'-amino-5'-deoxyadenosine
6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol: a specific glutathione S-transferase inhibitor; structure in first source
valyl-prolyl-prolineVal-Pro-Pro : A tripeptide composed of L-valine and two L-proline units joined by peptide linkages.tripeptidemetabolite
rwj 68354
vidofludimusvidofludimus: a dihydroorotate dehydrogenase inhibitor; structure in first source
cycloproparadicicolcycloproparadicicol: structure in first source
sc 57461SC 57461: a leukotriene A4 hydrolase inhibitor; structure given in first source
sc 57461
(2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine(2S,3S)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine: structure given in first source
ca 074
gzr 123GZR 123: structure in first source
(11c)cgs 25966
n-(5-adamantane-1-yl-methoxy-pentyl)deoxynojirimycin
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
andarineacetamides;
anilide
sergliflozin etabonatesergliflozin: a hypoglycemic agent that inhibits SGLT2 sodium-glucose transporter; structure in first sourceglycoside
n-(4-(2-methoxyphenoxy)phenyl)-n-(2,2,2-trifluoroethylsulfonyl)pyrid-3-ylmethylamineN-(4-(2-methoxyphenoxy)phenyl)-N-(2,2,2-trifluoroethylsulfonyl)pyrid-3-ylmethylamine: a metabotropic glutamate 2 receptor potentiator; structure in first source
adw 742
17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan
gw843682x(trifluoromethyl)benzenes
cp-346086CP-346086: an MTP inhibitor that lowers plasma cholesterol and triglycerides in experimental animals and in humans; structure in first source
gw 803430
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
rxp 407RXP 407: inhibits angiotensin I converting enzyme
gsk 256066
anamorelinanamorelin: a ghrelin receptor agonist for treatment of cachexia; structure in first source
k11002
3-((3-(4-chloro-3-ethylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)-1,1,1-trifluoropropan-2-ol3-((3-(4-chloro-3-ethylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)-1,1,1-trifluoropropan-2-ol: inhibits cholesteryl ester transfer protein; structure in first source
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
lu 28-179Lu 28-179: sigma(2) ligand and lysosomotropic agent; structure in first source
pd 176252PD 176252: a non-peptide gastrin-releasing peptide (BB2) receptor antagonist; structure in first source
l 755507L 755507: a benzenesulfonamide derivative; structure in first source
ro 28-2653Ro 28-2653: a synthetic matrix metalloproteinase inhibitor reduces tumor growth and prolongs survival in a prostate cancer standard rat model
gw406381xGW406381X: cyclooxygenase-2 inhibitor
prolylvalineVal-Pro : A dipeptide formed from L-valine and L-proline residues.dipeptidemetabolite
2-pyridin-2-yl-4h-1,3-benzothiazin-4-one2-pyridin-2-yl-4H-1,3-benzothiazin-4-one: a cardioprotective agent; structure in first source
2-(4'-methylaminophenyl)benzothiazole2-(4'-methylaminophenyl)benzothiazole: binds amyloid-beta fibrils; structure in first source
qh-ii-66QH-II-66: a alpha5-GABAA receptor agonist
reparixinreparixin: inhibits CXCR1 to prevent polymorphonuclear cell recruitmentmonoterpenoid
4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamidearyl sulfide
gt 20164-(1-cyclohexylpentanoyl-4-piperidyl)-1H-imidazole: structure given in first source
etomoxiraromatic ether
n-(2-methoxybenzyl)-n-(4-phenoxypyridin-3-yl)acetamideN-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide: for imaging brain peripheral benzodiazepine receptors; structure in first source
ne 100
rs 25344RS 25344: inhibits phosphodiesterase PDE-4D3; structure given in first source
2-meoemate
zd 9379ZD 9379: structure given in first source
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
ly 450139peptide
cp 91149CP 91149: inhibits liver glycogen phosphorylase; 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
cp 465,022CP 465,022: structure in first source
a-705253A-705253: structure in first source
ursodoxicoltaurinetauroursodeoxycholate : An organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.

tauroursodeoxycholic acid : A bile acid taurine conjugate derived from ursoodeoxycholic acid.
bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent
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
cyclic(arg-gly-asp-d-phe-val)
ginsenoside m1ginsenoside C-K : A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.

ginsenoside M1: structure in first source
12beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite
orvepitant
gambogic acidgambogic acid: RN given refers to (1R-(1alpha,1(Z),3abeta,5alpha,11beta,14aS*))-isomerpyranoxanthonesmetabolite
upamostat
lonafarnib4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide : A benzocycloheptapyridine that is benzo[5,6]cyclohepta[1,2-b]pyridine which is substituted at positions 3 and 10 by bromines, at position 8 by chlorine, and at position 11 by an N-acetylpiperidin-4-yl group in which one of the hydrogens of the acetyl moiety has been replaced by a 1-carbamoylpiperidin-4-yl group.benzocycloheptapyridine;
heteroarylpiperidine;
N-acylpiperidine;
organobromine compound;
organochlorine compound;
ureas
bms201038BMS201038: an anticholesteremic agent and microsomal triglycide transfer protein inhibitor

lomitapide : A member of the class of benzamides obtained by formal condensation of the carboxy group of 4'-(trifluoromethyl)biphenyl-2-carboxylic acid with the primary amino group of 9-[4-(4-aminopiperidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide. Used (as its mesylate salt) as a complement to a low-fat diet and other lipid-lowering treatments in patients with homozygous familial hypercholesterolemia.
(trifluoromethyl)benzenes;
benzamides;
fluorenes;
piperidines
anticholesteremic drug;
MTP inhibitor
ym 26734YM 26734: inhibits group II phospholipase A2; structure given in first source
mk-0429
cangrelorcangrelor : A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries.

cangrelor: platelet P(2T) receptor antagonist
adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound
P2Y12 receptor antagonist;
platelet aggregation inhibitor
ala-thr-trp-leu-pro-pro-arg
gentamicin sulfate
tetraborateborate ion : Any inorganic anion that is formally derived from boric acid. The term includes polymeric anions containing chains of BO3 structural units sharing one oxygen atom (e.g. di-, tri-, and tetraborates) as well as chains or rings sharing two oxygen atoms (e.g. metaborates).

tetraborate: RN given refers to ion(2-)
sc-75416SC-75416: a benzopyran (chromene) COX-2 inhibitor
ogt2378sinbaglustat: an antineopl agent; structure in first source
4-methylcoumarin 7-o-sulfamate
cgs 35066CGS 35066: an endothelin-converting enzyme-1 inhibitor; structure in first source
sb 242235SB 242235: p38 MAP kinase antagonist
ripasudilisoquinolines
fr 1480835Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone
antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
cgp 53716CGP 53716: structure given in first source
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
sd 0006SD 0006: a p38 kinase inhibitor; structure in first source

SD-06 : A member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively.
monochlorobenzenes;
N-acylpiperidine;
primary alcohol;
pyrazoles;
pyrimidines
sc 2364-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide: SC58236 = SC236 re email from Harris, Ray
alloinalloin: isolated from various species of aloe; structurediastereoisomeric mixtureEC 1.14.18.1 (tyrosinase) inhibitor;
laxative
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
sabiporidesabiporide: a NHE-1 inhibitor and a cardioprotective agent; structure in first source
rep8839REP8839: Antibacterial; a topical synthetic fluorovinylthiophene-containing diaryldiamine that inhibits bacterial methionyl tRNA synthetase; structure in first source
sb 273005
biphenyl-indanone abiphenyl-indanone A: an mGluR2 agonist; structure in first sourcebiphenyls
cgp 74588CGP 74588: a metabolite of STI-571; structure in first sourcebenzamides
ki 20227
abt-770ABT-770: structure in first source
jnj 10397049JNJ 10397049: a selective orexin receptor-2 antagonist
gw 9578GW 9578: a peroxisome proliferator-activated receptor alpha agonist; structure in first source
fimasartanfimasartan: an angiotensin II receptor antagonistbiphenyls
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
remogliflozin etabonateremogliflozin etabonate: orally administered hypoglycemic agent; structure in first sourceglycoside
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
rivaroxabanrivaroxaban : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery.

Rivaroxaban: A morpholine and thiophene derivative that functions as a FACTOR XA INHIBITOR and is used in the treatment and prevention of DEEP-VEIN THROMBOSIS and PULMONARY EMBOLISM. It is also used for the prevention of STROKE and systemic embolization in patients with non-valvular ATRIAL FIBRILLATION, and for the prevention of atherothrombotic events in patients after an ACUTE CORONARY SYNDROME.
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
4-methylene-2-octyl-5-oxofuran-3-carboxylic acid(2R,3S)-C75 : A 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid that has 2R,3S-configuration.

4-methylene-2-octyl-5-oxofuran-3-carboxylic acid: an anorectic fatty acid synthase inhibitor; structure in first source
4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid;
gamma-lactone
(r)-2-(1-(1-naphthyl)ethyl-aminom-ethyl)indole
nicotianamine(S,S,S)-nicotianamine : The (S,S,S)-stereoisomer of nicotianamine.

nicotianamine: an angiotensin I-converting enzyme inhibitor from soy sauce
amino acid zwitterion;
nicotianamine
chelator;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
plant metabolite
4-iodo-2,6-diisopropylphenol4-iodo-2,6-diisopropylphenol: structure in first source
bms-564929
sb 3ct compoundSB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first sourcearomatic ether
qx-314 bromide
3-hydroxy-4,3',4',5'-tetramethoxychalcone3-hydroxy-4,3',4',5'-tetramethoxychalcone: structure in first source
(S)-fluoxetine hydrochloride(S)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid.hydrochlorideantidepressant;
serotonin uptake inhibitor
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
uk-356,202UK-356,202: structure in first source
3,5-bis(2-fluorobenzylidene)piperidin-4-one3,5-bis(2-fluorobenzylidene)piperidin-4-one: an antineoplastic agent; structure in first source
sja 6017N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal: structure in first source
varespladib methylvarespladib methyl : A methyl ester resulting from the formal condensation of the carboxy group of varespladib with methanol. It is a potential therapy for the treatment of snakebite envenomings in which toxicity depends on the action of PLA2s.aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide
anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug
slv 313
dapagliflozinaromatic ether;
C-glycosyl compound;
monochlorobenzenes
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
hmr 1556HMR 1556: an I(Ks) channel blocker; structure in first source
pd 166793
nnc 05-2090NNC 05-2090: structure given in first sourcecarbazoles
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
vuf 22745-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile: an inverse agonist of human cytomegalovirus; structure in first source
am 36
ct52923CT52923: structure in first source
ngb 2904NGB 2904: a dopamine D3 receptor antagonist; structure in first sourcefluorenes
l 084L 084: an oral carbapenem with a 1-(1,3-thiazolin-2-yl)azetidin-3-ylthio group at the C-2 position; structure in first sourcecarbapenems;
pivaloyloxymethyl ester
sc 78080
ipi 49317-aminogeldanamycin: structure in first source
nnc 26-9100NNC 26-9100: structure in first sourceaminopyridine
n-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(l)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride
nsc 348103
kni 10006
dpc 423
idn 5390IDN 5390: structure in first source
mart-1 antigenMART-1 Antigen: A melanosome-specific protein that plays a role in the expression, stability, trafficking, and processing of GP100 MELANOMA ANTIGEN, which is critical to the formation of Stage II MELANOSOMES. The protein is used as an antigen marker for MELANOMA cells.
2,2,2-trifluorodiazoethane2,2,2-trifluorodiazoethane: structure in first source
y 27632, dihydrochloride, (4(r)-trans)-isomer
u 92016a
ro 31-9790Ro 31-9790: hydroxamic acid derivative
ly 255582
tgx 221TGX 221: a platelet aggregation inhibitorpyridopyrimidine
ic 87114IC 87114: structure in first source6-aminopurines;
biaryl;
quinazolines
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
l 838,417L 838,417: structure in first source
bms 204493BMS-493 : A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenylethynyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer).acetylenic compound;
benzoic acids;
dihydronaphthalenes;
stilbenoid
retinoic acid receptor antagonist
pnu 109291PNU 109291: 5-HT(1D) receptor agonist; structure in first source
zd 8321ZD 8321: inhibits human leukocyte elastase; structure in first source
sb 705498SB 705498: structure in first source
sp 100030N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide: transcription factor inhibitor specific to T-cells
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
indoxamindoxam: structure in first source
l 006235
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
avosentanAvosentan: structure in first source
l-873724L-873724: a selective inhibitor of cathepsin K; structure in first source
3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonylamino)-3-methyl-5-isoxazolyl)benzylsulfanyl)propanoic acid methyl ester
lb 30057
selexipagselexipag : A member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid).

selexipag: prostacyclin receptor agonist
aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound
orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent
n-((2s)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-l-leucyl-n,3- dimethyl-l-valinamideN-((2S)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-L-leucyl-N,3- dimethyl-L-Valinamide: matrix metalloproteinase inhibitor
zm 447439ZM447439 : A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively.aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
bms-470539BMS-470539: a selective small molecule agonist of the melanocortin-1 receptor inhibits lipopolysaccharide-induced cytokine accumulation and leukocyte infiltration in mice; structure in first source
thiocolchicosidethiocolchicoside: used in combination with glafenine and meprobamate to tranquilize patients undergoing hysterosalpingography; structureglycoside
lissamine rhodamine blissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion.organic sodium saltfluorescent probe;
fluorochrome;
histological dye
pd 173212PD 173212: structure in first source
casopitantpiperidines
nkp 608
memoquinmemoquin: structure in first source
avn 944VX-944: small molecule selective noncompetitive inhibitor of both isoforms of human inosine monophosphate dehydrogenase; induces apoptosis in multiple myeloma cells primarily via caspase-independent AIF/Endo G pathway
ginsenoside rg3(20S)-ginsenoside Rg3 : A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.

ginsenoside Rg3: from Red ginseng; inhibits lung metastasis of tumor cells; structure given in first source
ginsenoside;
glycoside;
tetracyclic triterpenoid
angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
dolastatin 15dolastatin 15: from Dolabella auricularia; seven subunit depsipeptide
ym-254890YM-254890: structure in first source
ly 295337LY 295337: a cyclic depsipeptide antifungal antibiotic produced by Aureobasidium pullulans
fk 8813-methoxy-1,5-bis(4-methoxyphenyl)-1H-1,2,4-triazole: structure in first source
perampanelperampanel : A member of the class of bipyridines that is 2,3'-bipyridin-6'-one substituted at positions 1' and 5' by phenyl and 2-cyanophenyl groups respectively. Used as an adjunctive therapy for the treatment of partial-onset seizures in patients with epilepsy.bipyridines;
nitrile;
pyridone
AMPA receptor antagonist;
anticonvulsant
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
latoconazole, (z)-isomer
gyki 47261
bibr 1532
ry 024RY 024: structure in first source
zacopride
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
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
rhodamine 123organic chloride salt;
xanthene dye
fluorochrome
ssr180575SSR180575: structure in first source
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
n-(4-((4-(dimethylamino)quinazolin-2-yl)amino)cyclohexyl)-3,4-difluorobenzamide hydrochloride
tae226TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first sourcemorpholines
gw0742GW 610742: structure in first sourcemonocarboxylic acid
ap23464AP23464: a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases
arenastatin a
ssr 146977SSR 146977: a tachykinin NK3 receptor antagonist; structure in first source
reversin 121reversin 121: high affinity peptide chemosensitizer
darapladibdarapladib: a selective lipoprotein-associated phospholipase A(2) (Lp-PLA(2)) inhibitor, on biomarkers of cardiovascular (CV) risk
pf9601n
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
ps1145PS1145: IkappaB kinase inhibitor; structure in first sourcebeta-carbolines
ro 67-4853(9H-xanthene-9-carbonyl)carbamic acid butyl ester: a metabotropic glutamate receptor 2 agonist; structure in first source
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
linaprazanlinaprazan: structure in first source
tak-715N-(4-(2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide: anti-rheumatoid arthritis agent; structure in first sourcebenzamides
ns 3623NS 3623: structure 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
ym 2016366-amino-N-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide: an antiviral agent; structure in first sourcearomatic amide
ag045572
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
1-(2-cyano-3,12-dioxooleana-1,9-dien-28-oyl) imidazole
benzyloxycarbonyl-isoleucyl-glutamyl(o-tert-butyl)-alanyl-leucinalbenzyloxycarbonyl-isoleucyl-glutamyl(O-tert-butyl)-alanyl-leucinal: inhibits chymotrypsin activity of the proteasome
bio 1211BIO 1211: integrin alpha4beta1 inhibitor; structure in first source
bryostatin 10bryostatin 10: isolated from Bugula neritina; structure in first source
5-hydroxyrofecoxib5-hydroxyrofecoxib: structure in first source
sr 11302SR 11302: structure given in first source

SR11302 : A retinoid that is all-trans-retinoic acid in which the methyl group at position 9 is replaced by a 4-methylphenyl group. It is an inhibitor of activator protein-1 which exhibits antitumour effects in vivo.
alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes
antineoplastic agent;
AP-1 antagonist
hippuristanolhippuristanol: from the gorgonian Isis hippuris
acetohexamide4N1K peptide: CD47 agonist peptide, derived from the CBD, synergizes with soluble collagen in aggregating platelet-rich plasma
pp-33
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
chf 50741-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid: a beta-amyloid(1-42) lowering agent; structure in first source
amg 3AMG 3: structure in first source
dysidenindysidenin : A secondary carboxamide resulting from the formal condensation of the carboxy group of (4S)-5,5,5-trichloro-N-methyl-N-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucine with the amino group of (1S)-1-(1,3-thiazol-2-yl)ethanamine. It is a marine metabolite initially isolated from the sponge dysidea herbacea.

dysidenin: structure given in first source; from the sponge Dysidea herbacea; RN given refers to (2S-(N(R*),2R*(R*),4R*))-isomer; RN for cpd without isomeric designation not avail 5/90
1,3-thiazoles;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide
animal metabolite;
marine metabolite;
toxin
incb3344INCB3344: potent and selective small molecule CCR2 chemokine receptor antagonist
3,4,5,6-tetrahydroxyxanthone
way-362450indoles
osu 03012OSU 03012: a PDK-1 inhibitor; structure in first sourceantibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
l 748,337L 748,337: a huamn beta3-adrenergic receptor antagonist; structure in first source
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
altrenogestaltrenogest: a synthetic PROGESTERONE agonist; used in estrus synchronization3-hydroxy steroid
arp-100
kb r8301
sb-612111
cp 945598
bolinaquinonebolinaquinone: a marine sesquiterpenoid from sponge Dysidea sp. with anti-inflammatory activity; structure in first source
pimavanserinpimavanserin : A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease.

pimavanserin: A 5-HT(2A) inverse agonist; ACP-103 is the dihydroxybutanedioate (2:1) salt. It is used to treat hallucinations and delusions associated with PARKINSON DISEASE; structure in first source.
aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas
5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
arl-671566-N,N-diethyl-beta,gamma-dibromomethylene-D-ATP: an inhibitor of ecto-ATPase
3-methoxy-5-pyridin-2-ylethynylpyridine3-methoxy-5-pyridin-2-ylethynylpyridine: structure in first source
propyl caffeatepropyl caffeate: has antioxidant activity; structure in first source
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
linagliptinlinagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.

Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS.
aminopiperidine;
quinazolines
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
lb42708LB42708: farnesyltransferase inhibitor; structure in first source
jaspaquinoljaspaquinol: structure in first source
tolfenpyradtolfenpyrad : An aromatic amide obtained by formal condensation of the carboxy group of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid with the amino group of 1-[4-(4-methylphenoxy)phenyl]methylamine.

tolfenpyrad: insecticide; structure in first source
aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide
agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor
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
lecozotanlecozotan: structure in first source
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
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1h-indole5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole: a 5-HT6 agonist; structure in first sourceindoles
4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylanilineimidazoles
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
azd2858aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide
antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
SIS3 free baseSIS3 free base : An enamide resulting from the formal condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid.aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide
Smad3 inhibitor
alanylpyrrolidine-boronic acid
odanacatibodanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source
cp-673,451CP-673,451: is a potent inhibitor of platelet-derived growth factor beta-receptor (PDGFR-beta) kinase; structure in first sourceaminoquinoline
nbi-74330NBI-74330: CXC chemokine receptor 3 (CXCR3) antagonist; structure in first source
darexaban glucuronidedarexaban glucuronide: structure in first source
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole
n-caffeoyldopamineN-caffeoyldopamine: structure in first source
a 443654A 443654: an Akt kinase inhibitor; structure in first sourceindoles
apilimod
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
bay 61-3606pyrimidines
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
a-317567A-317567: acid sensing ion channel blocker; structure in first source
balicatibbalicatib: cathepsin K inhibitor
nu 61404-(6-cyclohexylmethoxy-9H-purin-2-ylamino)-N,N-diethylbenzamide: a cyclin-dependent kinase inhibitor; structure in first source
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
sb674042SB674042: nonpeptide antagonist to the human orexin-1 receptor; structure in first source
ndt 9513727N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-imidazole-5-methanamine: a C5a receptor inverse agonist; structure in first source
4-ethoxy-3-phenylsulfonylfuroxan
ar c155858AR C155858: an MCT1 inhibitor; structure in first source
int 131INT 131: a hypoglycemic agent; structure in first source
s-benzyl phenylmethanethiosulfinateS-benzyl phenylmethanethiosulfinate: an antioxidant; structure in first source
km-233KM-233: used for the treatment of high-grade glioma; structure in first source
gw 842166xdichlorobenzene
carminecarminic acid : A tetrahydroxyanthraquinone that is that is 1,3,4,6-tetrahydroxy-9,10-anthraquinone substituted by a methyl group at position 8, a carboxy group at position 7 and a 1,5-anhydro-D-glucitol moiety at position 2 via a C-glycosidic linkage. It is a natural dye isolated from several insects such as Dactylopius coccus.C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone
animal metabolite;
histological dye
arisugacinarisugacin A : An organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by 3,4-dimethoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase.

arisugacin: isolated from Penicillium sp. FO-4259; structure given in first source
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol
antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
akt-i-1 compoundAkt-I-1 compound: an aminopeptidase P inhibitor; structure in first source
aleglitazaraleglitazar: a dual peroxisome PPAR-alpha and PPAR-gamma agonist for type 2 diabetes
betrixabanbetrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.

betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source
benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
fauc 365FAUC 365: a dopamine D3 receptor antagonist; structure in first source
sb-611812SB-611812: urotensin-II antagonist
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
sn003SN003: structure in first source
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
garcinone egarcinone E: has potent cytotoxic effect against hepatocellular carcinoma cell lines; structure in first sourcexanthones
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
agn 190205AGN 190205: inhibits vascular smooth muscle cell proliferation; structure in first source
osi-420
6-hydroxybenzbromarone6-hydroxybenzbromarone: metabolite M2 of benzbromarone
ko 143beta-carbolines;
tert-butyl ester
rpr 120844
jnj-5207787N-(1-Acetyl-2,3-dihydro-1H-indol-6-yl)-3-(3-cyano-phenyl)-N-(1-(2-cyclopentyl-ethyl)-piperidin-4yl)acrylamide: structure in first source
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
bastadin 4
2-acetylfuranonaphthoquinone2-acetylfuranonaphthoquinone: has antineoplastic activity; structure in first source
as 1517499
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
papyriflavonol apapyriflavonol A : A pentahydroxyflavone that is flavone substituted with hydroxy groups at positions 3, 5, 7, 3' and 4' and prenyl groups at positions 6 and 5'. Isolated from Broussonetia papyrifera, it exhibits inhibitory activity against phospholipase A2 and tyrosinase.

papyriflavonol A: isolated from Broussonetia papyrifera; structure in first source
3'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite
n-salicyloyltryptamineN-salicyloyltryptamine: an anticonvulsant that acts on sodium, calcium, and potassium ion channels
aristolactam aiiiaAristolactam AIIIa: polo-like kinase 1 (Plk1) inhibitor; structure in first source
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
ki164253-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid : A member of the class of isoxazoles that is the carbamate ester obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)ethyl hydrogen carbonate with the amino group of 3-({[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]methyl}sulfanyl)propanoic acid.carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide
azd3965AZD3965: a monocarboxylate transporter-1 inhibitor with antineoplastic activity; structure in first source
secramine asecramine A: inhibits VSVG transport from the Golgi to the plasma membrane; also inhibits Cdc42-dependent cell functions; structure in first source
m-chlorophenylguanidine
phevalinphevalin : A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 muM), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression.

phevalin: isolated from a Streptomyces sp.; structure given in first source
benzenes;
pyrazinone
bacterial metabolite;
calpain inhibitor
jwh 0181-pentyl-3-(1-naphthoyl)indole: structure in first sourceindolecarboxamide
cacospongionolide bcacospongionolide B: isolated from the sponge Fasciospongia cavernosa; structure in first source
(1,2-bis(1,2-benzisoselenazolone-3(2h)-ketone))ethane(1,2-bis(1,2-benzisoselenazolone-3(2H)-ketone))ethane: has antineoplastic activity; structure in first source
cur 61414CUR 61414: inhibits the hedehog signaling pathway; structure in first source
6-chlorotacrine6-chlorotacrine: structure given in first source
n-cyclopropyl adenosine-5'-carboxamide
tcs ox2 29
le 135LE 135: structure given in first sourcedibenzodiazepine
sideroxylonal csideroxylonal C: formylated phloroglucinol from flowers of Eucalyptus albens; structure in first source
biapigeninbiapigenin: bis-apigenin coupled at 3' & 3' positions; inhibits various cytochrome P450 enzymes; isolated from St. John's Wortflavonoid oligomer
phakellistatin 2phakellistatin 2: isolated from the marine sponge Phakellia carteri; structure in first source
anabaenopeptin banabaenopeptin B: from cyanobacteria Planktothrix (Oscillatoria) rubescens
meridianin ameridianin A: structure in first source
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' and 5'. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.

2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone: has antineoplastic activity; blocks NF-kappaB p65 activation; structure in first source; do not confuse with DMC cpd
chalcones;
monomethoxybenzene;
resorcinols
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
2-(3',4',5',6'-tetrahydro-2'h-(2,4') bipyridinyl-1'-yl)-n-m-tolyl-acetamide
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
methyl arachidonylfluorophosphonatephosphonic ester
cj 033466CJ 033466: structure in first source
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
daa 1106
panepophenanthrinpanepophenanthrin: from a mushroom strain, an inhibitor of the ubiquitin-activating enzyme; structure in first source
ly 411575dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol
EC 3.4.23.46 (memapsin 2) inhibitor
bms 599626
mdl 101146MDL 101146: orally active inhibitor of neutrophil elastase; structure in first source
dysinosin adysinosin A: structure in first source
galidesivir
ipragliflozinglycoside
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
e 5555E 5555: a 2-iminopyridine derivative and platelet aggregation inhibitoraromatic ketone
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
batatasin-iiistilbenoid
glaucocalyxin aglaucocalyxin A: chemical constituent of Rabdosia japonica var. glaucocalyx
PB28PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.aromatic ether;
piperazines;
tetralins
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
sb 328437SB 328437: a CC chemokine receptor-3 antagonist that inhibits binding of eotaxin and monocyte chemotactic protein-4 to eosinophils; structure in first source
amg 009AMG 009: an anti-inflammatory agent; structure in first source
3-dihydroxy-6-methyl-7-(phenylmethyl)-4-propylnaphthalene-1-carboxylic acid3-dihydroxy-6-methyl-7-(phenylmethyl)-4-propylnaphthalene-1-carboxylic acid: inhibits lactate dehydrogenase A
l 783277
3-o-methylfunicone3-O-methylfunicone: derived from Penicillium pinophilum; structure in first source
bryostatin 16bryostatin 16: from Bugula neritina; structure given in first source
ly 338522LY 338522: des-methyl metabolite of LY333531; structure in first source
cefotaxime sodiumorganic sodium salt
s 3304S 3304: 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
baci-imhomodetic cyclic peptide;
polypeptide;
zwitterion
antibacterial agent;
antimicrobial agent
ucn 1028 ccalphostin C: structure given in first source; isolated from Cladosporium cladosporioides
tasiamide btasiamide B: 4-amino-3-hydroxy-5-phenylpentanoic acid containing peptide from the marine cyanobacterium Symploca sp.; structure in first source
sodium
tafamidistafamidis : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis.

tafamidis: may be effective in treating transthyretin amyloid polyneuropathy
1,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid
central nervous system drug
n-(piperidin-1-yl)-5-(4-methoxyphenyl)-1-(2,4-dichlorophenyl)-4-methyl-1h-pyrazole-3-carboxamideN-(piperidin-1-yl)-5-(4-methoxyphenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide: a brain cannabinoid receptor ligand; structure in first source
2-(4-methoxyphenyl)-1,2-benzothiazol-3-onebenzothiazoles
acesulfame potassiumsulfuric acid derivative
l-altro-1-deoxynojirimycinL-altro-1-deoxynojirimycin: structure in first source
1-amino-3-phenylpropylphosphonic acid1-amino-3-phenylpropylphosphonic acid: inhibits L-phenylalanine ammonia-lyase activity of higher plants
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
mk 0354
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
tetrodotoxin
at 7867monochlorobenzenes;
piperidines;
pyrazoles
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
kyp 2047
n-benzylhexadecanamideN-benzylhexadecanamide : A macamide resulting from the formal condensation of the carboxy group of hexadecanoic acid with benzylamine. A moderate inhibitor of fatty acid amide hydrolase.

N-benzylhexadecanamide: isolated from Lepidium meyenii; structure in first source
macamide;
secondary carboxamide
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
neuroprotective agent;
plant metabolite
calpain inhibitor iiicalpain inhibitor III: potential anticataract drug
2,2,6,6-tetramethylpiperidin-4-yl heptanoate2,2,6,6-tetramethylpiperidin-4-yl heptanoate: structure in first sourcefatty acid ester
2-amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxyphenyl)pyrimidine2-amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxyphenyl)pyrimidine: a Wnt agonistpyrimidines
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
erastinerastin : A member of the class of quinazolines that is quinazolin-4(3H)-one in which the hydrogens at positions 2 and 3 are replaced by 1-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}ethyl and 2-ethoxyphenyl groups, respectively. It is an inhibitor of voltage-dependent anion-selective channels (VDAC2 and VDAC3) and a potent ferroptosis inducer.

erastin: an antineoplastic agent; structure in first source
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide
antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
ptc 124oxadiazole;
ring assembly
isoleucyl-valyl-tyrosineoligopeptide
n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamideN-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide: MK-0364 is the (1S,2S)-isomer; a cannabinoid-1 receptor inverse agonist; structure in first sourcestilbenoid
epoxomicinmorpholines;
tripeptide
proteasome inhibitor
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
uamc00039UAMC00039: dipeptidyl peptidase II inhibitor; structure in first source
tedizolidDA 7157: an anti-infective agent; structure in first source

tedizolid : A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.
carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles
antimicrobial agent;
drug metabolite;
protein synthesis inhibitor
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
bms 477118adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
3-cyano-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide: affects mGluR5 receptors; structure in first source
4-(2-((1r)-1-(((4-chlorophenyl)sulfonyl)-2,5-difluoroanilino)ethyl)-5-fluorophenyl)butanoic acidsulfonamide
dutogliptin
abt 102ABT 102: a TRPV1 antagonist; structure in first source
amd 070mavorixafor: a derivative of AMD3100; a CXCR4 blockeraminoquinoline
sb 7424573-benzenesulfonyl-8-piperazin-1-ylquinoline: a 5-HT6 receptor antagonist
begacestat
sb 657510SB 657510: a urotensin II antagonist
mp470N-arylpiperazine
rgb 286638
mb 05032
azd1981
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
pirarubicinanthracycline
bay 63-2521riociguat : A carbamate ester that is the methyl ester of {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamic acid. It is used for treatment of chronic thromboembolic pulmonary hypertension and pulmonary arterial hypertension

riociguat: guanylate cyclase stimulator; structure in first source
aminopyrimidine;
carbamate ester;
organofluorine compound;
pyrazolopyridine
antihypertensive agent;
soluble guanylate cyclase activator
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
pf 5142732-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo(3,4-f)(1,4)oxazepin-8(5H)-one: putative anti-obesity agent; structure in first source
bms-626529
telcagepanttelcagepant: structure in first source
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
marizomibmarizomib: a proteasome inhibitor from a marine bacterium Salinospora; structure in first sourcebeta-lactone;
gamma-lactam;
organic heterobicyclic compound;
organochlorine compound;
salinosporamide
antineoplastic agent;
proteasome inhibitor
bms-690514
bi 2536
N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide(trifluoromethyl)benzenes
lipocrinelipocrine: anti-Alzheimer's drug; structure in first source
4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamidebiphenyls
cay 10471CAY 10471: a prostaglandin D2 receptor antagonist; structure in first source
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
ks370gKS370G: antihyperglycemic; structure in first source
(5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine(5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine: KR-32570 possesses potent cardioprotective effects in perfused rat hearts, and its effects may be mediated by inhibition of NHE-1, preservation of high-energy phosphates, and inhibition of lipid peroxidation
pochonin dpochonin D: secondary metabolite of Pochonia chlamydosporia; structure in first source
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
adl 5859
a 7841681-(3-(trifluoromethyl)pyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide: a TRPV1 antagonist
Dihydrotanshinone Idihydrotanshinone I: extracted from Radix Salviaeabietane diterpenoidanticoronaviral agent
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
basimglurant
ym 244769N-(3-aminobenzyl)-6-(4-((3-fluorobenzyl)oxy)phenoxy)nicotinamide: a putative neuroprotective agent that inhibits NCX3; structure in first source
danusertibpiperazines
alogliptinalogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes.

alogliptin: structure in first source
nitrile;
piperidines;
primary amino compound;
pyrimidines
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
zampanolidezampanolide: structure in first source
oc000459
psn 632408PSN 632408: a GPR119 agonist; structure in first source
rpr260243RPR260243: small molecule activator of the human ether-a-go-go-related gene (HERG) cardiac K+ channel; structure in first source
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamidebenzamides
nvp-aew541
pg 01037
lt175
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
way 207024
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
tavaboroletavaborole : A member of the class of benzoxaboroles that is 1,3-dihydro-1-hydroxy-2,1-benzoxaborole substituted at position 5 by a fluoro group. A topical antifungal agent used for the treatment of onychomycosis (fungal infection of the toenails and fingernails).

tavaborole: has antifungal activity; structure in first source
benzoxaborole;
organofluorine compound
antifungal agent;
EC 6.1.1.4 (leucine--tRNA ligase) inhibitor;
protein synthesis inhibitor
bay94 9172florbetaben ((18)F) : A member of the class of stilbenoids in which the para-hydrogens of stilbene are replaced by methylamino and 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy) groups. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline
radioactive imaging agent
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
alisporiviralisporivir: nonimmunosuppressive cyclosporin analog; structure/sequence in first sourcehomodetic cyclic peptideanticoronaviral agent
methylphenidateN-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide: a fatty acid amide hydrolase inhibitor; structure in first source
gosogliptinamino acid amide
ec 144EC 144: 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
ridaifen-bridaifen-B: structure in first source
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
anacetrapib
carfilzomibepoxide;
morpholines;
tetrapeptide
antineoplastic agent;
proteasome inhibitor
a-841720A-841720: structure in first source
lgd 2226
1-(4-chlorophenyl)-3-(3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl)urea1-(4-chlorophenyl)-3-(3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl)urea: structure in first source
e 2012
hcv 796HCV 796: inhibits HCV RdRp; structure in first source
PF-00835231PF-00835231 : A primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity.aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide
anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
cortistatin 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
wz 811
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
dpa-713
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
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamidesulfonamide
cannabidivarincannabidivarin: from Cannabis sativamonoterpenoid
dimethylenastrondimethylenastron: a kinesin Eg5 inhibitor and antiproliferative agent; structure in first source
jnj 26854165
resminostatresminostat: a histone deacetylase inhibitor; structure in first source
n-(1,3-diphenyl-1h-pyrazolo-5-yl)-4-nitrobenzamideN-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide: an mGluR5 positive allosteric modulator; structure in first source
pf 5732286-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first sourcequinolines
nsc-287088
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source
tozadenanttozadenant: an adenosine A2A receptor antagonistbenzothiazoles
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
vu 15454-nitro-N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)benzamide: a metabotropic glutamate-5 receptor modulator; structure in first source
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
as 2524245-(5-(4-fluoro-2-hydroxyphenyl)furan-2-ylmethylene)thiazolidine-2,4-dione: a PI3K gamma inhibitor; structure in first source
tetrabenazine(3S,11bS)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one in which both stereocentres have S configuration.9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
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
protoapigenoneprotoapigenone: has antineoplastic activity; isolated from Thelypteris torresiana; structure in first source
ly2334737LY2334737: an orally available prodrug of gemcitabine for treatment of patients with advanced solid tumors
ro 49563712-chloro-4-((2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine: a metabotropic glutamate receptor 5 antagonist; structure in first source
zstk474ZSTK-474 : A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase.benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
4-cyano-N-[4-(4-methyl-1-piperazinyl)-2-(4-methyl-1-piperidinyl)phenyl]-1H-pyrrole-2-carboxamidearomatic amide
chir-265aromatic ether
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
a-438079
chromazonarol
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
mk-8745MK-8745: inhibits aurora kinase A; structure in first source
az-628AZ-628: a multikinase inhibitor; structure in first sourcebenzamides
jnj 28312141
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylaminePF-670462 free base : A member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon).aminopyrimidine;
imidazoles;
monofluorobenzenes
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
omecamtiv mecarbilureas
n,n'-dibenzhydrylethane-1,2-diamine dihydrochlorideAMN082 dihydrochloride : A hydrochloride obtained by combining N,N'-bis(diphenylmethyl)ethane-1,2-diamine with two molar equivalent of hydrochloric acid.

N,N'-dibenzhydrylethane-1,2-diamine dihydrochloride: selective metabotropic glutamate receptor 7 agonist; structure in first source
hydrochloridegeroprotector;
metabotropic glutamate receptor agonist;
neuroprotective agent
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
ponkoranolponkoranol: isolated from the plant Salacia reticulata; structure in first source
luf 6000
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-(2,6-diisopropylphenyl)-5-hydroxy-1h-isoindole-1,3-dione2-(2,6-diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione: structure in first source
tyropeptin atyropeptin A: proteasome inhibitors produced by Kitasatospora sp. MK993-dF2; structure in first sourcedipeptide
abexinostatabexinostat: structure in first sourcebenzofurans
pha 680626
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.
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamideureas
silvestrolsilvestrol : An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity.

silvestrol: isolated from the fruit and twig of Aglaia silvestris
dioxanes;
ether;
methyl ester;
organic heterotricyclic compound
antineoplastic agent;
metabolite
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
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) esterpiperazines
cebranopadol
sb 706504
snx-7081SNX-7081: Anti-Inflammatory Agent; structure in first source
6-o-coumaroylcatalpolcinnamate ester
empagliflozinaromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
teneligliptinamino acid amide
jnj-26483327JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010
at 13387(2,4-dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone: structure in first source

onalespib : A member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor.
benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide
antineoplastic agent;
Hsp90 inhibitor
ly2603618ureas
cathinone hydrochloride
4-[[[2-(cyclohexylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]-N-(4-ethoxyphenyl)benzamidebenzamides
ubenimexpeptide
calcimycinCalcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.benzoxazole
2-hydroxyapomorphine, (r)-isomer
4-iodoclonidine
octoclothepine maleate
wk-x-34WK-X-34: inhibitor of P-glycoprotein and BCRP (breast cancer resistance protein); structure in first source
N-[5-[2-(5-chloro-2-methylanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamidethiazoles
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
scopolamine hydrobromide
methoxy-morpholinyl-doxorubicin
tg100801
Glycyl-H-1152amino acid amide
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
brexpiprazolebrexpiprazole: a serotonin agent; structure in first sourceN-arylpiperazine
th 302TH 302: an hypoxia-activated prodrug of bromo-isophosphoramide mustard; an antineoplastic agent
1,5-anhydro-1-(5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl)-1-thioglucitoldiarylmethane
ns 92833-(3-(pyridine-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile: an alpha4beta2 nAChR agonist
ar 9281
[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
arhalofenatearhalofenate: a PPAR-gamma modulator
(R)-(+)-6',7'-dihydroxybergamottinfuranocoumarinmetabolite
chidamidebenzamides
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
azadiradioneazadiradione : A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities.

azadiradione: structure in first source
acetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid
anti-inflammatory agent;
antimycobacterial drug;
plant metabolite
[5-Chloranyl-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] ethanoateazaphilone
4-[(1,4-dioxo-2-naphthalenyl)amino]benzenesulfonamide1,4-naphthoquinones
2-diethylaminoethyl 4-nitrobenzoate hydrochloride
ginsenoside rh1(20S)-ginsenoside Rh1 : A tetracyclic triterpenoid that is (20S)-protopanaxadiol which is substituted by beta-D-glucoside at the 6alpha position.

ginsenoside Rh1: RN given for (3beta,6alpha,12beta)-isomer
12beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
plant metabolite
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
SYC-435SYC-435 : A cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and benzyl groups, respectively. It is a potent inhibitor of mutant isocitrate dehydrogenase 1 (Ki values of 190 nM against R132H mutant and 120 nM against R132C mutant).benzenes;
cyclic hydroxamic acid;
pyridone
antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
maltoheptaosealpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp : A maltoheptaose heptasaccharide consisting of six alpha-D-glucose residues and a D-glucose residue joined in sequence by (1->4) glycosidic bonds.

maltoheptaose : A maltoheptaose heptasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form.

maltoheptaose: consists of seven glucose residues in a linear 1,4-alpha-linkage; substrate for determining alpha-amylase in serum; RN given refers to (D-glucopyranose)-isomer
maltoheptaose heptasaccharide
FR900359FR900359: G-protein inhibitor from Ardisia crenata sims that shows inhibition of platelet aggregation and decrease of blood pressurecyclodepsipeptide
levoxadrol
(3E,9E)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dionecytochalasinfungal metabolite
dehydrocurvularinmacrolide
atractylenolide iiatractylenolide II: from Atractylodes ovata; structure in first sourcesesquiterpene lactone
hypocrellin ahypocrellin A: isolated from fungus Hypocrella bambusae sacc
decominol hydrochloride
rabeprazole sodiumorganic sodium salt
malyngamide Adicarboximidemetabolite
omdm 169OMDM 169: has antinociceptive activity; structure in first source
trans-avicennoltrans-avicennol: from Zanthoxylum chiloperone var. angustifolium; structure in first source
methampicillinbrassinazole : A member of the class of triazoles that is butan-2-ol which is substituted at positions 2, 3, and 4 by phenyl, 1H-1,2,4-triazol-1-yl and p-chlorophenyl groups, respectively. An inhibitor of brassinosteroid biosynthesis.

brassinazole: a triazole-type brassinosteroid biosynthesis inhibitor; structure in first source
monochlorobenzenes;
tertiary alcohol;
triazoles
brassinosteroid biosynthesis inhibitor
tosedostatcarboxylic ester;
hydroxamic acid;
secondary carboxamide
3,6-diamino-10-methylacridinium chloride hydrochloride3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride.hydrochlorideantibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator
microcolin amicrocolin A: structure given in first source; isolated from the blue-green alga Lyngbya majuscula
n-trans-p-coumaroyl-l-tyrosineN-trans-p-coumaroyl-L-tyrosine: from Theobroma cacao; structure in first sourcetyrosine derivative
adenosine monophosphateadenosine 5'-monophosphate(2-) : A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of adenosine 5'-monophosphate (AMP).nucleoside 5'-monophosphate(2-)cofactor;
fundamental metabolite;
human metabolite
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamideC-nitro compound
[4-(diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanonediarylmethane
xr 9577
vizamylflutemetamol ((18)F) : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by 3-((18)F)fluoro-4-(methylamino)phenyl and hydroxy groups at positions 3 and 6 respectively. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.(18)F radiopharmaceutical;
aromatic amine;
benzothiazoles;
secondary amino compound
radioactive imaging agent
mdv 3100(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound
androgen antagonist;
antineoplastic agent
af 3535-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine: a P2X3 and P2X2/3 receptor antagonist; structure in first source
gs-9148GS-9148: anti-HiV; structure in first source
Benzotriazol-1-yl 1H-indole-5-carboxylateindolyl carboxylic acidanticoronaviral agent
gsk188909GSK188909: a potent and selective non-peptidic BACE-1 inhibitor; structure in first source
gsk 461364GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1(trifluoromethyl)benzenes
trelagliptintrelagliptin: a dipeptidyl peptidase IV inhibitorbenzenes;
nitrile
n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamineN-(3-fluorophenyl)-1-((4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine: a small molecule motilin receptor agonist; structure in first sourceacetamides
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
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
tfc 007
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinaminequinazolines
cnv1014802vixotrigine: a sodium channel blocker
amodiaquine hydrochloride
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
sch 54292SCH 54292: structure in first source
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
e 7050aromatic ether
bms 309403
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
bivalirudinbivalirudin : A synthetic peptide of 20 amino acids, comprising D-Phe, Pro, Arg, Pro, Gly, Gly, Gly, Gly, Asn, Gly, Asp, Phe, Glu, Glu, Ile, Pro, Glu, Glu, Tyr, and Leu in sequence. A congener of hirudin (a naturally occurring drug found in the saliva of the medicinal leech), it a specific and reversible inhibitor of thrombin, and is used as an anticoagulant.

bivalirudin: designed to bind to the alpha-thrombin catalytic site and anion-binding exosite for fibrin(ogen) recognition
polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
somatostatinheterodetic cyclic peptide;
peptide hormone
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
tn14003TN14003: synthetic antagonist 14-mer peptide inhibiting metastasis in an animal model
humaninhumanin: suppresses neuronal cell death induced by the Swedish mutant of amyloid precursor protein; suppresses neuronal cell death induced by three different types of FAD genes and amyloid beta; amino acid sequence in first source
ly-146032heterodetic cyclic peptide;
lipopeptide;
lipopeptide antibiotic;
macrocycle;
macrolide
antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
r18 peptideR18 peptide: a 20-mer peptide, derived from a phage library, that binds 14-3-3 tau protein; amino acid sequence in first source
5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thionebenzenes
2-[4-[(6-ethoxy-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazinyl]ethanolquinolines
[1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanonearomatic ketone
GS4012GS4012 : A hydrochloride obtained by combining the free base of GS4012 with one molar equivalent of hydrochloric acid.hydrochloride;
pyridinium salt
VEGF activator
1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthioureapiperazines;
pyridines
7-methyltryptamine hydrochloride
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxo-3-pyrrolo[3,4-d]pyridazinyl]-N-(2,3,5,6-tetrafluorophenyl)acetamideanilide
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl esterleucine derivative;
tert-butyl ester
(2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl estersecondary carboxamide;
tert-butyl ester
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) esterleucine derivative
cct129202
5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylatecarboxylic esteranticoronaviral agent
(5-Chloropyridin-3-yl) 1H-indole-5-carboxylateindolyl carboxylic acidanticoronaviral agent
5-Chloropyridin-3-yl 1H-indole-2-carboxylateindolyl carboxylic acidanticoronaviral agent
warfarin sodiumwarfarin sodium : A racemate comprising equal amounts of (R)- and (S)-warfarin sodium. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.
quercetin
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
[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanonearomatic carboxylic acid;
pyridinemonocarboxylic acid
amikacin
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamidepyrimidinecarboxamide
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
azd8330pyridinecarboxamide
lumacaftorlumacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis.

lumacaftor: a corrector of CF transmembrane conductance regulator (CTFR); structure in first source
aromatic amide;
benzodioxoles;
benzoic acids;
cyclopropanes;
organofluorine compound;
pyridines
CFTR potentiator;
orphan drug
archazolid aarchazolid A: inhibits vacuolar-type ATPase; isolated from Archangium gephyra; structure in first source
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-GlucopyranosideO-acyl carbohydrate
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
cryolitecryolite : A mineral originally discovered in Greenland (first described 1799). The name is derived from the Greek kapparhoupsilonomicronsigma (frost) and lambdaiotathetaomicronsigma (stone).

cryolite: structure
inorganic sodium salt;
perfluorometallate salt
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
pevonedistatpevonedistat : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes.

pevonedistat: a potent and selective inhibitor of NAE (NEDD8-activating enzyme)
cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate
antineoplastic agent;
apoptosis inducer
fedratinibfedratinib: a selective small-molecule inhibitor of JAK2sulfonamide
sid 26681509SID 26681509 : A carbohydrazide that is L-tryptophan in which the amino and carboxy groups are substituted by tert-butoxycarbonyl and 2-({[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}carbonyl)hydrazinyl groups, respectively. It is a potent and reversible inhibitor of human cathepsin L (IC50 = 56 nM).

SID 26681509: structure in first source
carbohydrazide;
L-tryptophan derivative;
secondary carboxamide;
tert-butyl ester;
thioester
antiplasmodial drug;
cathepsin L (EC 3.4.22.15) inhibitor
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
WAY-316606WAY-316606 : A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1).(trifluoromethyl)benzenes;
piperidines;
secondary amino compound;
sulfonamide;
sulfone
secreted frizzled-related protein 1 inhibitor
way 2526232-(2-chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole: a partial LXR agonist
cnf 20242-aminopurines;
aromatic ether;
organochlorine compound;
pyridines
antineoplastic agent;
Hsp90 inhibitor
uk 453,061UK 453,061: a reverse transcriptase inhibitor/anti-HIV agent; structure in first sourcearomatic ether
5-fluoro-2-indolyldeschlorohalopemidebenzimidazoles
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
azd 7545AZD 7545: an anilide tertiary carbinol; a pyruvate dehydrogenase kinase 2 inhibitor

AZD7545 : A sulfone that is benzene substituted by [4-(dimethylcarbamoyl)phenyl]sulfonyl, chloro and [(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino groups at positions 1, 3 and 4, respectively. It is a potent and non-ATP-competitive inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2) with IC50 of 6.4 nM and exhibits glucose-lowering activity. Also inhibits PDHK1 at higher levels (IC50 = 36.8 nM).
benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide
EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent
6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehydedihydroxybenzaldehyde;
polyketide
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-pyridinecarboxamidebenzamides
4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl esteraromatic amide;
tert-butyl ester
nvp-bhg712benzamides
ns 113943'-(5-(1-hydroxy-1-methylethyl)benzoimidazol-1-yl)biphenyl-2-carbonitrile: an anxiolytic agent; structure in first source
azd5438sulfonamide
3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamidebiphenyls
endiandrin aendiandrin A: a potent glucocorticoid receptor binder isolated from the Australian plant Endiandra anthropophagorum; structure in first source
t-tucb
archazolid barchazolid B: structure in first sourcemacrolide
amg 1aromatic amide
nsc 23766NSC 23766 trihydrochloride : A hydrochloride resulting from the formal reaction of NSC 23766 with 3 mol eq. of hydrogen chloride. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1).

Rac1 inhibitor : Any inhibitor of Rac1.
hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
pravastatin sodiumpravastatin sodium : An organic sodium salt that is the sodium salt of pravastatin. A reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA), it 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.organic sodium salt;
statin (semi-synthetic)
anticholesteremic drug
ro 10-5824RO 10-5824: structure in first source
alendronate sodium
(e)-3-(2,3,4,5-tetrabromophenyl)acrylic acid(E)-3-(2,3,4,5-tetrabromophenyl)acrylic acid: casein kinase II inhibitor
mk 0571
valproate sodiumEpilim: oral sodium valproate used as antidepressive agent

sodium valproate : The sodium salt of valproic acid.

valproate : A branched-chain saturated fatty acid anion that is the conjugate base of valproic acid.
organic sodium saltgeroprotector
1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thioureamonoterpenoid
s 4661
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
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanolaromatic ether
WWL113biphenyls
sr 1078SR 1078: a RORalpha and RORgamma agonist; structure in first source
sl 80.0750
n-(2-methylbenzyl)linoleamideN-(2-methylbenzyl)linoleamide: RN given refers to (Z,Z)-isomer; structureorganic molecular entity
Resocortol butyratesteroid ester
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3-methylbutan-2-ylamino)methyl]benzamidebenzamides
stf-118804
N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamidearomatic ketone
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-onearomatic ketone
kx1-004KX1-004: a Src-protein tyrosine kinase inhibitor; structure in first source
sb-706375SB-706375: nonpeptidic urotensin-II receptor antagonist; structure in first source
lu ae58054
Norartocarpanoneflavanones
cauloside Dcarboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin
anti-inflammatory agent;
plant metabolite
23-hydroxybetulinic acid23-hydroxybetulinic acid: structure in first sourcetriterpenoidmetabolite
nothofaginnothofagin: a dihydrochalcone
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
lu aa33810
5-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
2-(2-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
2-(4-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
mrk-409MRK-409: GABA-A Receptor Agonists; structure in first source
kw-2478
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
cefpodoxime4-(6-methoxy-2-naphthyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole: a Tie2 kinase inhibitor with antineoplastic activityimidazoles
kx-01
4'-epichaetoviridin A4'-epichaetoviridin A : An azaphilone that is the 4'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum.azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol
Chaetomium metabolite
pr-957
a 8677444-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide: positive modulator of alpha7 nicotinic acetylcholine receptor; structure in first source
p276-00P276-00: antineoplastic, cyclin-dependent kinase inhibitor; structure in first source
2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanolmethoxybenzenes;
substituted aniline
2-[[4-(4-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanoldialkylarylamine;
tertiary amino compound
2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanoldialkylarylamine;
tertiary amino compound
2-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanolmethoxybenzenes;
substituted aniline
2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanolmethoxybenzenes;
substituted aniline
2-[[4-(4-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanolmethoxybenzenes;
substituted aniline
2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenoldialkylarylamine;
tertiary amino compound
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanolaromatic ether
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanolaromatic ether
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanolaromatic ether
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanolaromatic ether
tegobuvirtegobuvir: a non-structural protein 5B polymerase inhibitor
azd1283
lyngbyastatin 7lyngbyastatin 7: potent elastase inhibitor from Floridian marine cyanobacteria, Lyngbya spp.; structure in first source
pf-429242PF-429242: a subtilisin kexin isozyme-1/site-1 protease inhibitor
halisulfate 1halisulfate 1: an isocitrate lyase inhibitor sesterterpene sulfate from sponge, Hippospongia sp.; structure in first sourceorganic molecular entitymetabolite
mesnaMesna: A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE.organosulfonic acid
bendazac
tofisopamorganic sodium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
novobiocin sodiumorganic molecular entity
u 63557a
sri 62320(3R,5S)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3R,5S)-fluvastatin by a sodium ion.

SRI 62320: structure given in first source
organic sodium salt;
statin (synthetic)
ono 5046N-acylglycine
cerivastatin sodiumcerivastatin sodium : The sodium salt of cerivastatin. Formerly used to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity.organic sodium salt;
statin (synthetic)
montelukast sodiumorganic sodium salt
thiopental sodiumorganic sodium saltintravenous anaesthetic
clavulanate potassiumpotassium clavulanate : A potassium salt having clavulanate as the counterion. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes and has only weak anitbiotic activity when administered alone. However it can be used in combination with amoxicillin trihydrate (under the trade name Augmentin) for treatment of a variety of bacterial infections, where it prevents antibiotic inactivation by microbial lactamases.potassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
sodium bisulfitesodium bisulfite: has been used externally for parasitic skin diseases and as gastrointestinal antiseptic; structure

sodium hydrogensulfite : An inorganic sodium salt having hydrogensulfite as the counterion.
inorganic sodium salt;
sulfite salt
allergen;
food antioxidant;
food colour retention agent;
mutagen;
reducing agent
cytomelliothyronine sodium : The sodium salt of liothyronine. Thought to be more active than levothyroxine and with a rapid (few hours) onset and short duration of action, liothyronine sodium is used in the treatment of hypothyroidism, particularly in cases of hypothyroid coma.organic sodium salt
sodium lactatesodium lactate : An organic sodium salt having lactate as the counterion.

Sodium Lactate: The sodium salt of racemic or inactive lactic acid. It is a hygroscopic agent used intravenously as a systemic and urinary alkalizer.
lactate salt;
organic sodium salt
food acidity regulator;
food preservative
piperacillin sodiumorganic sodium salt
oxacillin sodiumorganic sodium salt
sodium nitritesodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning.

Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.
inorganic sodium salt;
nitrite salt
antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison
deoxycholic acid, monosodium saltbile acid salt
dexon (fungicide), sodium saltorganic molecular entity
cyclic amp, monosodium salt
calcium dobesilate monopotassium saltpotassium dobesilate: for topical treatment of actinic keratoses
potassium perfluorobutanesulfonate
cephapirin sodiumcephapirin sodium : The sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci.cephalosporin;
organic sodium salt
antibacterial drug
cefazolin sodiumcefazolin sodium : A cephalosporin organic sodium salt having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups.organic sodium salt
acid blue 129
dicloxacillin sodiumhydrate
nuclear fast rednuclear fast red : An organic sodium salt that is the monosodium salt of 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. It forms bright red lakes with calcium and is a useful red nuclear staining lake with aluminum.

nuclear fast red: structure in first source; do not confuse with nuclear fast red (basic dye)
organic sodium saltfluorochrome;
histological dye
cr 1409lorglumide sodium : A racemate comprising equal amounts of (R)- and (S)-lorglumide sodium.
alilusem potassium
azlocillin sodiumorganic sodium salt
cortisol succinate, sodium salthydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na saltorganic molecular entity
warfarin potassiumwarfarin potassium : A racemate comprising equal amounts of (R)- and (S)-warfarin potassium. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.
cym51010CYM51010: structure in first source
pf 915275
olaparibcyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines
antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
almorexantalmorexant: a dual orexin receptor antagonist for treatment of insomniaisoquinolines
ck-2017357CK-2017357: a fast-skeletal-troponin activator; 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
ast 1306AST 1306: an antineoplastic agent that inhibits epidermal growth factor receptors 1 and 2; structure in first sourcequinazolines
N-[5-Ethyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chlorideN-acyl-amino acidanticoronaviral agent
N-[5-Bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chlorideN-acyl-amino acidanticoronaviral agent
mk 5108aromatic ether
cx 4945
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
N-[5-Fluoro-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chlorideN-acyl-amino acidanticoronaviral agent
dodoneinedodoneine: has hypotensive activity; isolated from Agelanthus dodoneifolius; 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
snx 2112SNX 2112: an orally available small molecule Hsp90 inhibitor; structure in first source
lde225sonidegib : A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma.

sonidegib: specific Smoothened/Smo antagonist
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound
antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
gdc 0449HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activitybenzamides;
monochlorobenzenes;
pyridines;
sulfone
antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent
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
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridinedafadine A : An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine.aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines
geroprotector;
P450 inhibitor
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
delanzomibC-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative
antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
canagliflozincanagliflozin hydrate : A hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2.C-glycosyl compound;
organofluorine compound;
thiophenes
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
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
florbetapir f 18florbetapir F-18 : An aromatic ether consisting of a pyridine ring substituted at position 2 by a 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy group and at position 5 and a 2-(4-methylaminophenyl)vinyl group. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.

florbetapir: a PET agent for Abeta plaques; structure in first source
(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline
radioactive imaging agent
cink4CINK4: cyclin-dependent kinase 4 inhibitor; may have tumor suppression activity; structure in first sourceindoles
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
(3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl esterorganonitrogen compound;
organooxygen compound
(5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-aminesubstituted aniline
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamideN-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively.benzamides;
biphenyls;
cyclopropanes;
dicarboxylic acid diamide
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
tak-875biphenyls
cgi 1746CGI 1746: inhibits Bruton's protein kinase (Btk); 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
ucl 2077benzenoid aromatic compound
apalutamide
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
azd4694AZD4694: an Abeta plaque neuroimaging PET radioligand; structure in first source
N-[[3-fluoro-4-[[2-(1-methyl-4-imidazolyl)-7-thieno[3,2-b]pyridinyl]oxy]anilino]-sulfanylidenemethyl]-2-phenylacetamidethioureas
PP121aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
at13148
ar 231453
GRL-0617GRL-0617 : A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro).benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline
anticoronaviral agent;
protease inhibitor
rg 1678(4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl)methanone: a GlyT1 inhibitor; structure in first source
amg 487
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
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
mk 8245
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
isocombretastatin a-4
gsk1292263
bi d1870
ipi-926IPI-926: a semisynthetic derivative of cyclopamine that is a smoothened inhibitor with antineoplastic activity; structure in first sourcepiperidines
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
1,1,1-trifluoro-6-(naphthalen-2-yl)hexan-2-one1,1,1-trifluoro-6-(naphthalen-2-yl)hexan-2-one: inhibits Group VIA Ca(II)-independent phospholipase A2; 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
atb-3462-(6-methoxy-napthalen-2-yl)-propionic acid 4-thiocarbamoyl-phenyl ester: NSAIDs; structure in first source
dcc-2036rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agentorganofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines
tyrosine kinase inhibitor
oprozomibONX 0912: antineoplastic; an orally active proteasome inhibitor; structure in first source
pnd 1186PND 1186: has antineoplastic activity; structure in first source
compstatincompstatin: binds to complement 3; amino acid sequence in first source
pf 998425
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
act-132577ACT-132577 : A member of the class of sulfamides in which one of the amino groups of sulfonamide is substituted by a 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl group. An active metabolite of macitentan (obtained by oxidative depropylation), an orphan drug used for the treatment of pulmonary arterial hypertension.

aprocitentan: a macitentan metabolite
aromatic ether;
organobromine compound;
pyrimidines;
sulfamides
antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite
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
ldc067
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-naphthalenecarboxamidenaphthalenecarboxamide
vu0155069
5-(ethylsulfonyl)-2-(naphthalen-2-yl)benzo(d)oxazoleezutromid: a utrophin upregulator; structure in first source
cym-5520CYM-5520: structure in first source
(5-Chloropyridin-3-yl) 1H-indole-4-carboxylateindolyl carboxylic acidanticoronaviral agent
ammosamide bammosamide B: structure in first source
pf-044189481-(4-fluorobenzoyl)-3-(((6-methoxy-2-naphthyl)oxy)methyl)azetidine-3-carboxylic acid: structure in first source
defactinib
ly2584702
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamidebenzamides
bs 194
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
jnj-31020028
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
sch 1473759SCH 1473759: an antineoplastic agent and aurora 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
cct 137690
pf 3845PF 3845: inhibits fatty acid amide hydrolasepiperidines
pf 750N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide: a fatty acid amide hydrolase inhibitor; structure in first sourcequinolines
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
gs-9451
(R)-DRF053(R)-DRF053 : A member of the class of 2,6-diaminopurines that is 2,6-diamiopurine which is substituted by an isopropyl group at position 9 and in which the amino groups at positions 2 and 6 are substituted by a 1-hydroxybutan-2-yl and 3-(pyridin-2-yl)phenyl groups, respectively (the R enantiomer). A cyclin dependent kinase inhibitor, widely used as its hydrochloride hydrate.2,6-diaminopurines;
phenylpyridine;
primary alcohol;
secondary amino compound
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
emd1214063tepotinib: MET inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-onechromones
lx1032telotristat ethyl: used for treatment of carcinoid syndrome
gsk 1838705aorganonitrogen compound;
organooxygen compound
ixazomibixazomib : A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma.

ixazomib: a proteasome inhibitor with antineoplastic activity; MLN2238 is the biologically active form of MLN9708; structure in first source
benzamides;
boronic acids;
dichlorobenzene;
glycine derivative
antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
fit-039FIT-039: CDK9 inhibitor; structure in first source
ver 155008VER 155008: structure in first sourcepurine nucleoside
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinolpiperidines
(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamineWAY-262611: a wingless beta-catenin agonist; structure in first sourcenaphthalenes
gne 477GNE 477: inhibits phosphatidylinositol 3-kinase and mTOR; structure in first source
n-fluoroacetyl-n-(2,5-dimethoxybenzyl)-2-phenoxyanilineN-fluoroacetyl-N-(2,5-dimethoxybenzyl)-2-phenoxyaniline: a peripheral benzodiazepine receptor PET ligand; structure in first source
3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione: inhibits GSK-3beta; structure in first sourcemaleimides;
organonitrogen compound;
organooxygen compound
gallinamide agallinamide A: antimalarial peptide from marine cyanobacteria
nvp-bep800
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
n-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamideN-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamide: structure in first source
gdc 0834
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-fluorophenyl)sulfonylpiperazinesulfonamide
(2R)-4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazinesulfonamide
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazinesulfonamide
(2S)-4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazinesulfonamide
(2S)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazinesulfonamide
4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidinebenzodioxine
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazinepyridines;
sulfonamide
N-[1-(2,6-difluorophenyl)sulfonyl-4-piperidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepanesulfonamide
N-[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazinesulfonamide
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]methyl]-2,6-difluorobenzenesulfonamidesulfonamide
N-[[1-(2,6-difluorophenyl)sulfonyl-3-azetidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-pyrrolidinyl]-2,6-difluorobenzenesulfonamidesulfonamide
N-[3-[(2,6-difluorophenyl)sulfonylamino]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
N-[5-[(2,6-difluorophenyl)sulfonylamino]pentyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
N-[6-[(2,6-difluorophenyl)sulfonylamino]hexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
N-[2-[(2,6-difluorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
N-[1-(2,6-difluorophenyl)sulfonyl-3-pyrrolidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
N-[4-[(2,6-difluorophenyl)sulfonylamino]butyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
3-[(2-fluorophenyl)methyl]-5-methyl-4-thieno[3,4]pyrrolo[1,3-d]pyrimidinonepyrrolopyrimidine
6-[(2-fluorophenyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0980
3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1h-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid: an SHP2 inhibitor; structure in first source
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
pf 8380
aspernolide aaspernolide A: structure in first source
5-(4-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(4-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
dexamethasone phosphate(2-)dexamethasone phosphate(2-) : A steroid phosphate oxoanion obtained by deprotonation of the phosphate OH groups of dexamethasone phosphate.steroid phosphate oxoanion
act-462206ACT-462206: an antagonist of both orexin 1 and oxexin 2 receptors; structure in first source
LSM-27979pyrrolidines
bi 201335faldaprevir: inhibits hepatitis C virus NS3 protease
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanolbiphenyls
kotalanolKotalanol: a sulfated thiosugar from Salacia plant genus; alpha-glucosidase inhibitor; structure in first source
a 967079A 967079: a TRPA1 channel antagonist; 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
N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]anilino]-5-fluoro-4-pyrimidinyl]amino]benzamidebenzamides
6-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinaminequinazolines
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinaminequinazolines
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinaminequinazolines
5-(2-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(3-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(3-fluorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(3-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrilearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidinebiphenyls;
thienopyrimidine
5-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(3-thiophenyl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(4-dibenzothiophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinedibenzothiophenes;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
1-[2-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanonearomatic ketone;
thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(1-naphthalenyl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
N-[(5-chloro-8-hydroxy-7-quinolinyl)-cyclopropylmethyl]acetamidehydroxyquinoline
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
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
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrileaminoquinoline
debio 0932CUDC 305: an Hsp90 inhibitor with antineoplastic activity; structure in first source
dynole 34-2dynole 34-2: a dynamin inhibitor; structure in first source
bay 869766
as 703026pyridinecarboxamide
tak-441TAK-441: structure in first source
pki 402PKI 402: also inhibits mammalian target of rapamycin; structure in first source
a-582941A-582941: nicotinic acetylcholine receptor (alpha7 nAChR) agonist
vu0361737
pf 04929113
1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]ureaureas
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
nvp bvu972
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
arry 520filanesib: a kinesin spindle protein inhibitor
KOM70144KOM70144 : A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively).acetamides;
benzamides;
naphthalenes;
secondary carboxamide
anticoronaviral agent;
protease inhibitor
pht 4274-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide: an antineoplastic agent; structure in first source
6-[(3-methoxyphenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinoneML-265: a small molecule activator of PKM2organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-bromo-6-[(2,4-difluorophenyl)methyl]-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
e-52862
ly2811376
grassystatin agrassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source
debromoaplysiatoxindebromoaplysiatoxin : A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.

debromoaplysiatoxin: sea algae toxin from lyngbya majuscula.; structure
aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal
algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
madindoline amadindoline A: inhibits interleukin-6; isolated from Streptomyces; structure in first source
jwh 250
kuraridinkuraridin: isolated from Sophora flavescens; structure in first source
1, 3-di-(n-carboxybenzoyl-leucyl-leucyl)amino acetone1, 3-di-(N-carboxybenzoyl-leucyl-leucyl)amino acetone: structure in first source
neosalacinol
n-(carbamoylmethyl)-3-trifluoromethyl benzamido-4-chlorobenzyl 3-aminopyrrolidine
N-[(5-bromo-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamidehydroxyquinoline
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
p505-15
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
pf-4778574PF-4778574: structure in first source
gsk 1059865
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
as1949490
anagliptinanagliptin: anagliptin hydrochloride salt is the active compoundamino acid amide
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
au-1
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]anilinebenzenes;
sulfonamide
cp 466722quinazolines
nms p715
6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine: an mGluR5 antagonist; structure in first source
uvi 3003UVI 3003: structure in first source
ml347ML347: an ALK2 inhibitor; structure in first source
gnaphalingnaphalin: a lipophilic flavonol from Helichrysum sp.; structure in first source
e-6-o-p-coumaroyl scandoside methyl esterE-6-O-p-coumaroyl scandoside methyl ester: structure in first source
myrtucommulone amyrtucommulone A: from the leaves of myrtle, Myrtus communis (Myrtaceae); structure in first sourcearomatic ketone
gardiquimod
2-((r-5-chloro-4-methoxymethylindan-1-yl)-1h-imidazole)
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
2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamidebenzothiazoles
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
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamidepiperazines
thiopental sodiumorganochlorine compound;
piperazines;
pyrimidines
antineoplastic agent;
tyrosine kinase inhibitor
glucopiericidin aglucopiericidin A: from Streptomyces pactum S48727 as co-metabolite of piericidin A(1); structure given in first source; glycoside antibiotic
n6022N6022: inhibits S-nitrosoglutathione reductase; structure in first source
ur-144(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone: structure in first source
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
yk 4-279YK 4-279: an antineoplastic agent that inhibits EWS-FLI1 oncoprotein; structure in first sourcearomatic ketone
LSM-2536piperazines
pf 04971729ertugliflozin: structure in first sourcediarylmethane
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,3-dichloro-1H-indol-2-onearomatic ketone
(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene : An organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups.organobromine compound;
polyphenol
fluorescent dye
Mps1-IN-2piperidines
palmostatin bpalmostatin B: inhibits acyl protein thioesterase 1; structure in first source
letermovirletermovir: has antiviral activity; structure in first source
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
skepinone-lskepinone-L: a dibenzosuberone-type p38 MAPK inhibitor; structure in first source
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-aminesapanisertib: an mTOR inhibitorbenzoxazole
1-(4-methyl-1-piperazinyl)-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanoneamino acid amide
bay 1000394roniciclib: an antineoplastic agent that inhibits cyclin-dependent kinases; structure in first source
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinonearomatic ether
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
nps-1034NPS-1034: a protein kinase inhibitor that acts on MET and AXL; structure in first source
stemregenin 1StemRegenin 1: structure in first source
abt-348ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source
3-fluoro-5-((6-methylpyridin-2-yl)ethynyl)benzonitrile3-fluoro-5-((6-methylpyridin-2-yl)ethynyl)benzonitrile: an mGluR5 antagonist; 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
sb 1518
pr-957PR-957: immunoproteasome inhibitor; inhibits Lmp7 protein; structure in first source
abemaciclib
pyrintegrinpyrintegrin: a beta1-integrin agonist; structure in first source
pf 3084014nirogacestat : A member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment.

nirogacestat: an antineoplastic agent
jzl195JZL195: inhibits both ​fatty-acid amide hydrolase 1 and ​monoglyceride lipase; structure in first source
gsk0660GSK0660: PPAR antagonist; structure in first sourcesulfonamide
mk-8776
am 966
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholineindoles
nvp-bsk805
ml228 probeML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.

ML228 probe: structure in first source
1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound
hypoxia-inducible factor pathway activator
wzb117WZB117: 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
lrrk2-in1LRRK2-IN1: inhibits leucine-rich repeat kinase 2; structure in first sourcearomatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
hh-gv678flumatinib: an antineoplastic agent and tyrosine kinase inhibitor
tak-0631-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one: an inhibitor of phosphodiesterase 10A; structure in first source
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamideN-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide: structure in first source
gsk143GSK143: a Syk kinase inhibitor; structure in first source
bms 708163BMS 708163: structure in first sourceoxadiazole;
ring assembly
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
(20R)-ginsenoside Rg3(20R)-ginsenoside Rg3 : A ginsenoside found in Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-R positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.ginsenoside;
glycoside;
tetracyclic triterpenoid
antioxidant;
plant metabolite
azd3514AZD3514: in Phase I clinical trial in patients with castrate-resistant prostate cancer (2/2013); structure in first source
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamidearomatic amide;
furans
gsk923295GSK923295: an antimotitic agent and CENP-E inhibitor
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
rn486RN486: a selective Bruton's tyrosine kinase inhibitor
deberza2-benzofurans
mpi-0479605MPI-0479605: an antineoplastic agent that inhibits mitotic kinase Mps1; structure in first source
jnj38877605quinolines
vs-5584VS-5584: a highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer
dinaciclibpyrazolopyrimidine
tenuifoliside atenuifoliside A: isolated from Polygala tenuifolia; structure in first source
gsk525762amolibresib: mimicks acetylated histones; structure in first sourcebenzodiazepine
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]-3-pyridinecarboxamidebenzimidazoles
ML-210ML-210 : An N-acylpiperazine that is piperazine substituted by 5-methyl-4-nitro-1,2-oxazole-3-carbonyl and bis(4-chlorophenyl)methyl groups at positions 1 and 4, respectively. It is a glutathione peroxidase 4 (GPX4) inhibitor which induces ferroptosis in cancer cells expressing the RAS oncogene.C-nitro compound;
diarylmethane;
isoxazoles;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
tertiary carboxamide
antineoplastic agent;
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer;
prodrug
ch5164840CH5164840: biotin-labeled version of 17-dimethylaminoethylamino-17-demethoxygeldanamycin (17-DMAG)
ch 5132799CH 5132799: structure in first source
nms p937NMS P937: a polo-like kinase 1 inhibitor; structure in first source
pf-3450074PF-3450074: an anti-HIV agent that binds capsid protein; 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
ML240ML240 : A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP).aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound
antineoplastic agent
glpg0634
torin 1torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines
antineoplastic agent;
mTOR inhibitor
tba-354
evacetrapibbenzazepine
ly2886721
nms-p118NMS-P118: a PARP-1 inhibitor; structure in first source
lmt-28LMT-28: an interleukin-6 inhibitor that binds gp130; structure in first source
ly2940680
N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamidepiperazines;
pyridines
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
kaf156ganaplacide: antimalarial
epoxyazadiradioneepoxyazadiradione : A limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes.

epoxyazadiradione: limonoid from neem tree Azadirachta indica; RN given for (5alpha,7alpha,13alpha,14beta,15beta,17alpha)-isomer; structure in first source
acetate ester;
cyclic terpene ketone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid
anti-inflammatory agent;
insecticide;
plant metabolite
xl765aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
bs-181BS-181: a CDK7 inhibitor with antineoplastic activitypyrazolopyrimidine
ro 4929097dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound
EC 3.4.23.46 (memapsin 2) inhibitor
mln 9708
4-(3-(benzyloxy)phenyl)-2-(ethylsulfinyl)-6-(trifluoromethyl)pyrimidine
inosine5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3(2H)-one: an NPBWR1 antagonist; structure in first source
ipi-145isoquinolines
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
ve 8213-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide: an antineoplastic agent; structure in first sourcearomatic amide
gdc-0032
sr2211
spautin-1
gsk2141795GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source
(5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1h-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate
butyrolactone ibutyrolactone I: selective inhibitor of cdk2 & cdc2 kinase; structure given in first sourcebutenolide
methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1h-indole-2-carboxylatemethyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)-1H-indole-2-carboxylate: inhibits lactate dehydrogenase A; 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
sphaeropsidin asphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first sourcegamma-lactonemetabolite
pf-4708671
gsk1210151aGSK1210151A: inhibitor of the BET family of proteins; structure in first sourceimidazoquinoline
i-bet726
b355252
azd8186
hs-173
jnj 40418677
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylureaBGJ-398 : A member of the class of phenylureas that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-dichloro-3,5-dimethoxyphenyl group, while the hydrogens attached to the other nitrogen are replaced by a methyl group and a 6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl group. It is a potent and selective fibroblast growth factor receptor inhibitor.

infigratinib: structure in first source
aminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas
antineoplastic agent;
fibroblast growth factor receptor antagonist
sr1664indolecarboxamide
nvp-cgm097NVP-CGM097: an MDM2 and HDM2 inhibitor; structure in first source
bix 02565
n-dodecyl-l-lysine amide
(r)-4-cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1h-pyrazolo(4,3-c)quinoline(R)-4-cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1H-pyrazolo(4,3-c)quinoline: gamma secretase inhibitor; structure in first source
a-839977A-839977: a selective P2X7 receptor antagonist, analgesic; structure in first source
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
(r)-n-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide(R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide: structure in first source
unc569UNC569: an antineoplastic agent that inhibits Mer protein; structure in first source
tak-9604-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide: a polo-like kinase 1 inhibitor; structure in first source
rg7388RG7388: structure in first source
ml276
N-[2-(3-oxo-4H-quinoxalin-2-yl)-4-propan-2-ylphenyl]-2-thiophenecarboxamidearomatic amide
vu0424465
ml298
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
beta-dimethylaminoethyl-alpha,alpha-diphenyl-alpha- propargoxyacetate
lesinuradlesinurad : A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout.

lesinurad: a uric acid reabsorption inhibitor
aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles
uricosuric drug
gsk2656157biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide
antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor
7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-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
pf 4800567PF-4800567 : A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the epsilon isoform of casein kinase 1 (CK1epsilon).aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
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
aspulvinone E4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one : A member of the class of butenolides that is furan-2(5H)-one substituted by 4-hydroxyphenyl, hydroxy and 4-hydroxybenzylidene groups at positions 3, 4 and 5, respectively.

aspulvinone E : A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity.
4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one;
aspulvinone
antiviral agent;
Aspergillus metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
marine metabolite
4-hydroxy-6-methyl-2-pyrone4-hydroxy-6-methyl-2-pyrone: structure in first source2-pyranones
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.
oxytetracycline, anhydrousoxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.

Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.
minocyclineminocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.

Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.
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
roquinimexroquinimex: structure in first sourcearomatic amide
acenocoumarolacenocoumarol : A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.

Acenocoumarol: A coumarin that is used as an anticoagulant. Its actions and uses are similar to those of WARFARIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p233)
C-nitro compound;
hydroxycoumarin;
methyl ketone
anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
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
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylateethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate: RN & structure given in first sourcecarboxylic acid;
pyrroline
warfarin4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.

warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.

Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.
benzenes;
hydroxycoumarin;
methyl ketone
dihydroxyfumaratedihydroxyfumarate: RN given refers to ((E)-isomer); structure

dihydroxyfumaric acid : A 2-hydroxydicarboxylic acid consisting of fumaric acid having two hydroxy groups at the 2- and 3-positions.
2-hydroxydicarboxylic acid;
C4-dicarboxylic acid
bromadiolonediarylheptanoid
6-o-palmitoylascorbic acidfatty acid ester
citrininCitrinin: Antibiotic and mycotoxin from Aspergillus niveus and Penicillium citrinum.
tipranavirtipranavir : A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor.

tipranavir: inhibits HIV-1 protease
sulfonamideantiviral drug;
HIV protease inhibitor
variabilinvariabilin: an RGD-containing antagonist of glycoprotein IIb-IIIa from the hard tick, Dermacentor variabilis; amino acid sequence given in first source
tasquinimodtasquinimod: a lead second generation quinoline-3-carboxamide anti-angiogenic agent for the treatment of prostate cancer; structure in first source
4-hydroxycoumarin2-hydroxychromone: structurehydroxycoumarin
rolitetracyclinerolitetracycline : A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.

Rolitetracycline: A pyrrolidinylmethyl TETRACYCLINE.
N-(2-aminophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamidearomatic amide
methacycline monohydrochloride
elasninelasnin: elastase inhibitor isolated from Streptomyces noboritoensis
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acidquinolines
ethyl biscoumacetateEthyl Biscoumacetate: A coumarin that is used as an anticoagulant. It has actions similar to those of WARFARIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p226)hydroxycoumarin
rk 682
minocycline hydrochloride
demeclocycline hydrochloridedemeclocycline hydrochloride : The hydrochloride salt of demeclocycline. A tetracycline antibiotic, it is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.
tigecycline
4-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-2-onehydroxycoumarin
lornoxicamlornoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 6-chloro-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, primarily resulting from inflammatory diseases of the joints, osteoarthritis, surgery, sciatica and other inflammations.heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine
antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
tetracycline hydrochlorideActisite: tradename; fiber for periodontal use
dolutegravirdifluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide
HIV-1 integrase inhibitor
palinurinpalinurin: an NSAID with antibacterial activity; isolated from Ircinia species; structure in firs t source
pf 9184
au1235
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
ml289ML289: metabotropic glutamate receptor 3 probe
ml299ML299: has antineoplastic activity; structure in first source
AZD3463AZD3463 : A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK.aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
sar245408
palmostatin mpalmostatin M: inhibits acyl protein thioesterases 1 and 2; structure in first source
agi-5198AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source
on123300ON123300: a protein kinase inhibitor; structure in first source
byl719proline derivative
rpx7009RPX7009: a beta-lactamase inhibitor; structure in first source
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
(1S,2R)-2-[[(1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-1-cyclohexanecarboxylic acidLH601A: inhibits the interaction between KEAP1 and NRF2; structure in first sourcephthalimides
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
apy0201APY0201: a small molecular IL-12/23 inhibitor with pyrazolo[1,5-a]pyrimidine core; structure in first source
pi-1840PI-1840: has both antineoplastic and proteasome inhibitory activities; structure in first source
saxitoxinsaxitoxin : An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning.

Saxitoxin: A compound that contains a reduced purine ring system but is not biosynthetically related to the purine alkaloids. It is a poison found in certain edible mollusks at certain times; elaborated by GONYAULAX and consumed by mollusks, fishes, etc. without ill effects. It is neurotoxic and causes RESPIRATORY PARALYSIS and other effects in MAMMALS, known as paralytic SHELLFISH poisoning.
alkaloid;
carbamate ester;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
pyrrolopurine
cyanotoxin;
marine metabolite;
neurotoxin;
sodium channel blocker;
toxin
pf-52748571-(4-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one: a potent and selective Smoothened antagonist that penetrates the blood-brain barrier; structure in first source
epz004777N-glycosyl 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
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
nsc751382
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
epz-56765'-deoxyribonucleoside
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
ap26113
sr9009
sr9011SR9011: a REV-ERB agonist; structure in first source
ganoderic acid c2ganoderic acid C2: from the fruiting body of Ganoderma; structure in first sourcetriterpenoid
gsk837149aGSK837149A: structure in first source
gs-4589676-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)(1,2,4)triazolo(4,3-a)pyridine: an anti-arrhythmia agent that inhibits late sodium current; structure in first source
azd1208
gkt137831setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative
gne-7915
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
amg 232
cc-292spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source
MS-417MS-417 : A member of the class of thienotriazolodiazepines that is the methyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. A bromodomain and extra-terminal domain (BET)-specific inhibitor that belongs to a group of thienodiazepine-based compoundsmethyl ester;
monochlorobenzenes;
thienotriazolodiazepine
vx-509
gsk2256294
vx-970berzosertib: an ATR kinase inhibitorsulfonamide
gs-9973
gsk-7975a2,6-difluoro-N-(1-(4-hydroxy-2-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide: structure in first source
rki-1447RKI-1447: an antineoplastic agent that inhibits ROCK1 and ROCK2; structure in first source
epz005687EPZ005687: inhibits EZH2 protein; structure in first sourceindazoles
benzylfentanyl hydrochloride
n-hydroxy-1-(3,4-methylenedioxyphenyl)-2-aminopropane hydrochloride
n-(4-chloro-2-fluorophenyl)-2-hydroxybenzamideN-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide: structure in first source
amg 925AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML).
gn6958GN6958: inhibits SUMO-sentrin specific protease 1 (SENP1); structure in first source
jnj-47965567JNJ-47965567: a P2X7 purinergic receptor antagonist; structure in first source
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
epz-6438tazemetostat: a histone methyltransferase EZH2 inhibitor with antineoplastic activity
N-[5-[[6-[3-(1,3-dioxo-2-isoindolyl)phenyl]-4-pyrimidinyl]amino]-2-methylphenyl]methanesulfonamidepyrimidines
pf-543PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first sourcesulfonamide
gne-618GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source
gsk2194069GSK2194069: a beta-ketoacyl reductase inhibitor; structure in first source
bay 87-2243
tas-116
gsk2578215aGSK2578215A: an inhibitor of LRRK2 kinase; structure in first source
unc1062UNC1062: structure in first source
gne-617GNE-617: inhibits nicotinamide phosphoribosyltransferase; structure in first source
volitinib
gne-08772-methyl-2-(3-methyl-4-((4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)propanenitrile: a leucine-rich repeat kinase 2 (LRRK2) inhibitor; structure in first source
n2-(1h-indazole-5-yl)-n6-methyl-3-nitropyridine-2,6-diamineKRIBB11 : A member of the class of indazoles that is 1H-indazole substituted by a [6-(methylamino)-3-nitropyridin-2-yl]amino group at position 5. It is an inhibitor of heat shock factor 1 (IC50 = 1.2muM) and suppresses tumour growth in mouse xenograft models.

N2-(1H-indazole-5-yl)-N6-methyl-3-nitropyridine-2,6-diamine: a heat shock factor 1 antagonist; structure in first source
cyanine 863
ajmaline
ML355ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis.

ML355: 12-Lipoxygenase inhibitor
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
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
2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide: a probe for bromo and extra C-terminal domain proteins; structure in first sourcequinazolines
sar131675SAR131675: structure in first source
agi-6780AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source
khs101KHS101: a small molecule accelerates neuronal differentiation in the adult rat
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone: an Hsp90 inhibitor; structure in first source
idarucizumab
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
ctx-0294885CTx-0294885: structure in first source
sulfated pentagalloylglucosidesulfated pentagalloylglucoside: structure in first source
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
tenapanor
1-pentyl-1h-indole-3-carboxylic acid 8-quinolinyl ester1-pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester: a recreational synthetic cannabinoid; structure in first source
ivosidenibivosidenib : A tertiary carboxamide resulting from the formal condensation of the carboxy group of (2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid with the secondary amino group of (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[(5-fluoropyridin-3-yl)amino]acetamide. It is approved by the FDA for the treatment of acute myeloid leukemia (AML) in patients with an isocitrate dehydrogenase-1 (IDH1) mutation.

ivosidenib: an inhibitor of isocitrate dehydrogenase 1 (IDH1) for treatment of acute myeloid leukemia (AML)
cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide
antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
ccg-203971
atglistatinatglistatin : A biphenyl that is 1,1'-biphenyl substituted by (dimethylcarbamoyl)amino and dimethylamino groups at positions 3 and 4', respectively. It is a potent inhibitor of adipose triglyceride lipase activity (IC50 = 700nM).

atglistatin: inhibits adipose triglyceride lipase; structure in first source
1-[(1R)-1-(1-ethylsulfonyl-4-piperidinyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-indolecarboxamide(R)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide: EZH2 inhibitorindolecarboxamide
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
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
n-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acidN-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid: inhibits anoctamin-1; structure in first source
brd4770benzimidazoles
etp-46464ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source
wz4003WZ4003: inhibits both NUAK1 and NUAK2; structure in first source
lsn2463359
pf-06447475
sar405SAR405: a Vps34 inhibitor with antineoplastic activity; structure in first source
xen445
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
glutaminase
unc2250UNC2250: a Mer kinase inhibitor; structure in first source
fluconazoledeltarasin: inhibits the interaction between PDEdelta and KRAS protein; structure in first source
unc2025UNC2025: inhibits both MER and FLT3 kinases; structure in first source
onc201TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source
gne-9605
nelfinavir
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
ldc4297LDC4297 : A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity.

LDC4297: a CDK7 inhibitor with antineoplastic activity; structure in first source
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
azd3759
MLI-2MLI-2 : A member of the class of indazoles that is 1H-indazole that is substituted at position 3 by a 6-(cis-2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl group and at position 5 by a (1-methylcyclopropoxy)group. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2).aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ly2857785
hth-01-015
hg-9-91-01HG-9-91-01 : A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer.

HG-9-91-01: inhibits salt-inducible kinases; structure in first source
aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound
antineoplastic agent;
salt-inducible kinase 2 inhibitor
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
ver-246608VER-246608: inhibits pyruvate dehydrogenase kinase; structure in first source
enasidenib1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol
antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
nct-501NCT-501: inhibits aldehyde dehydrogenase 1A1; structure in first source
3-methylfentanyl monohydrochloride, (cis)-isomer
s 8932aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine
anticoronaviral agent;
antiviral drug;
prodrug
MZ1organic molecular entity
psma-617PSMA-617: inhibits prostate-specific membrane antigen; structure in first source
mmi-0100MMI-0100: inhibits MAPKAP kinase 2
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
entecavirentecavir (anhydrous) : Guanine substituted at the 9 position by a 4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl group. A synthetic analogue of 2'-deoxyguanosine, it is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. Entecavir is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every stage of the enzyme's activity, although it has no activity against HIV. It is used for the treatment of chronic hepatitis B.2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
chir 258
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
can 508CAN 508: has antiangiogenic activity; structure in first source

CAN-508 : A member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 muM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes.
aromatic amine;
monoazo compound;
phenols;
pyrazoles
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
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
diguanosine tetraphosphateP(1),P(4)-bis(5'-guanosyl) tetraphosphate : A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the P(1)- and P(4)-positions.guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate
Escherichia 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
guanosine monophosphateguanosine 5'-monophosphate : A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase.

Guanosine Monophosphate: A guanine nucleotide containing one phosphate group esterified to the sugar moiety and found widely in nature.
guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate
biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite
guanosine triphosphateGuanosine Triphosphate: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety.guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate
Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
guanine2-aminopurines;
oxopurine;
purine nucleobase
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
guanosineribonucleoside : Any nucleoside where the sugar component is D-ribose.guanosines;
purines D-ribonucleoside
fundamental metabolite
hypoxanthinenucleobase analogue;
oxopurine;
purine nucleobase
fundamental metabolite
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
inosineinosines;
purines D-ribonucleoside
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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
dacarbazine(E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.dacarbazine
didanosinedidanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS.

Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite.
purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir2-aminopurines;
oxopurine
antiinfective agent;
antiviral drug
valtrexorganic molecular entity
valacyclovirValacyclovir: A prodrug of acyclovir that is used in the treatment of HERPES ZOSTER and HERPES SIMPLEX VIRUS INFECTION of the skin and mucous membranes, including GENITAL HERPES.L-valyl esterantiviral drug
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
chir-124
raltitrexedN-acyl-amino acid
nolatrexednolatrexed: structure given in first source; RN given refers to dihydrochloride
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
suptopin 2
kf38789KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source
salinazidaromatic carboxylic acid;
pyridinemonocarboxylic acid
ro 3306RO 3306: structure in first source
8-amino-9-(2-thienylmethyl)guanine
allopurinolallopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.

Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.
nucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
2-[(2-oxo-3-indolyl)amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideorganonitrogen compound;
organooxygen compound
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
citrovorum factortetrahydrofolic acid
leucovorin5-formyltetrahydrofolic acid : A formyltetrahydrofolic acid in which the formyl group is located at position 5.formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
guanylyl imidodiphosphateguanosine 5'-[beta,gamma-imido]triphosphate : A nucleoside triphosphate analogue that is GTP in which the oxygen atom bridging the beta- to the gamma- phosphate is replaced by a nitrogen atom A non-hydrolyzable analog of GTP, it binds tightly to G-protein in the presence of Mg(2+).

Guanylyl Imidodiphosphate: A non-hydrolyzable analog of GTP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It binds tightly to G-protein in the presence of Mg2+. The nucleotide is a potent stimulator of ADENYLYL CYCLASES.
nucleoside triphosphate analogue
phenylamilphenylamil: irreversible inhibitor of sodium channels in the toad urinary bladderguanidines;
pyrazines
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
rifapentinerifapentine: cyclopentyl derivative of rifampicinN-alkylpiperazine;
N-iminopiperazine;
rifamycins
antitubercular agent;
leprostatic drug
thiolactomycinthiolactomycin: from actinomycetes; structure given in first source
3-benzyladenine
allopurinol ribosideallopurinol riboside : A nucleoside analogue that is allopurinol with a beta-D-ribofuranosyl moiety at the 1-position.nucleoside analoguemetabolite
5,11-methenyltetrahydrohomofolate
4-hydroxyquinazoline4-oxo-3,4-dihydroquinazoline: structure in first sourcequinazolines
8-amino-9-benzylguanine8-amino-9-benzylguanine: structure given in first source
omega-n-allylarginineomega-N-allylarginine: inhibitor of nitric oxide synthase; structure given in first source
forodesineforodesine: structure in first sourcedihydroxypyrrolidine;
pyrrolopyrimidine
norclozapineN-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.

norclozapine: structure given in first source
dibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
ag 337
2-styrylquinazolin-4(3h)-one2-styrylquinazolin-4(3H)-one: structure given in first source
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
2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-onearyl sulfide
phthivazide
bropiriminepyrimidines
tirapazaminetirapazamine : A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4.

Tirapazamine: A triazine derivative that introduces breaks into DNA strands in hypoxic cells, sensitizing tumor cells to the cytotoxic activity of other drugs and radiation.
aromatic amine;
benzotriazines;
N-oxide
antibacterial agent;
antineoplastic agent;
apoptosis inducer
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
peldesinepeldesine: potent inhibitor of human CCRF-CEM T-cell proliferation; structure given in first source
aprepitantaprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.

Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles
antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
fosaprepitantfosaprepitant : A morpholine derivative that is the (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl ether of (3-{[(2R,3S)-3-(4-fluorophenyl)-2-hydroxymorpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid.

fosaprepitant: a pro-drug form of aprepitant
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles
antiemetic;
neurokinin-1 receptor antagonist;
prodrug
tegaserod maleatemaleate saltserotonergic agonist
hymenialdisine
etifoxinebenzoxazine
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl esterquinazolines
MMP-9-IN-1MMP-9-IN-1 : A secondary carboxamide resulting from the formal condensation of the carboxy group of [(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid with the amino group of 4-(difluoromethoxy)aniline. It is a specific matrix metalloproteinase-9 (MMP-9) inhibitor.aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide
antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor
N-(2-furanylmethyl)-3-(2-furanylmethylimino)-1-isoindolamineisoindoles
rifabutin
mk 6892MK 6892: a niacin receptor agonist; structure in first source
N-[4-(6-chloro-5-nitro-1H-benzimidazol-2-yl)phenyl]acetamidebenzimidazoles
isogranulatimideisogranulatimide: G2 checkpoint inhibitor; structure in first source
ci 972CI 972: structure given 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
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diolpyrazoles;
ring assembly
ag-879AG-879: structure given in first source
N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonamidesulfonamide
hesperadin
8-aminoguanine
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.
7-bromoindirubin-3'-oxime7-bromoindirubin-3'-oxime: has mild protein kinase inhibitory activity; induces caspase-independent cell death; structure in first source
flavellagic acidflavellagic acid: RN given refers to parent cpd; structure
lomofunginlomofungin: antibiotic obtained from Streptomyces species; reported effective against bacteria as well as fungi & yeasts; probably inhibits nucleic acid & protein synthesis; minor descriptor (76-85); on-line & Index Medicus search PHENAZINES (76-85)
2-(4-methoxyphenyl)-1H-quinazolin-4-onequinazolines
acyclovir monophosphate
5-methyltetrahydrohomofolic acid5-methyltetrahydrohomofolic acid: RN given refers to parent cpd
1-[4-[[oxo-(7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)methyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl esteraromatic amide
2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-onemethoxybenzenes
pyridoxal 4-methoxybenzoyl hydrazonepyridoxal 4-methoxybenzoyl hydrazone: structure given in first source
cnb 001
bms 536924BMS 536924: inhibits insulin-like growth factor I receptor kinase; structure in first source
coelenterazinecoelenterazine: active group in AEQUORIN, a coelenterate luciferin

Oplophorus luciferin : An imidazopyrazine that is imidazo[1,2-a]pyrazin-3(7H)-one in which positions 2, 6, and 8 are substituted by 4-hydroxybenzyl, 4-hydroxyphenyl, and benzyl groups, respectively.
immucillin gimmucillin G: structure in first sourcedihydroxypyrrolidine;
pyrrolopyrimidine
ver-50589VER-50589: inhibits heat shock protein 90 molecular chaperone; structure in first source
2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-onesubstituted aniline
amg531
2-[(dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]onequinazolines
ulodesineulodesine: a purine nucleoside phosphorylase inhibitor
7-methyl-GTPguanosine 5'-phosphate
2-(diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]onequinazolines
debromohymenialdisine
bay 65-1942
N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]butanamidearomatic ketone
t16ainh-a01T16AInh-A01: a TMEM16A inhibitor
8-bromoguanosinepurine nucleoside
galloflavingalloflavin: structure in first source
gossylic iminolactonegossylic iminolactone: inhibits human immunodeficiency virus type I replication; structure given in first source
2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone: an alkyl ketone herbicide; structure given in first sourcemixture
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
mirodenafilmirodenafil : A member of the class of pyrrolopyrimidines that is 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one having a 5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl group at positon 2, ethyl group at position 5, and a propyl group at position 7. It is a phosphodiesterase type 5 inhibitor which is used for the treatment of erectile dysfunction.

mirodenafil: an erectogenic agent; structure in first source
aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
way 267464
carbadoxCarbadox: An antibacterial agent that has been used in veterinary practice for treating swine dysentery and enteritis and for promoting growth. However, its use has been prohibited in the UK following reports of carcinogenicity and mutagenicity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p125)quinoxaline derivative
9-deaza-9-(3-thienylmethyl)guanine
8-aminoguanosine
cb 30865
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazidecatechols;
hydrazide;
hydrazone;
naphthols
EC 3.6.5.5 (dynamin GTPase) inhibitor
gossylic lactonegossylic lactone: inhibits human immunodeficiency virus type I replication; structure given in first source
ver 52296luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols
angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
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
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl esterbenzoate ester
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1H-indole-5-carbonitrile: structure in first source

AZD1080 : A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued).
hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
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
rvx 208apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation
sta 9090ring assembly;
triazoles
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
dabigatran etexilatedabigatran etexilate : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amino group of ethyl N-pyridin-2-yl-beta-alaninate. A prodrug for dabigatran, a thrombin inhibitor and anticoagulant which is used for the prevention of stroke and systemic embolism.aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
carboxylic ester;
pyridines
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug
opicaponeopicapone: structure in first sourceoxadiazole;
ring assembly
thiamet g
nms-e973NMS-E973: structure in first source
fenobamfenobam: in USAN fenobam refers to monohydrateureas
rifampin
as1940477
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
platinum ethylenediamine dichloride
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamideN-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM).aldehyde;
indolecarboxamide;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
molnupiravirmolnupiravir : A nucleoside analogue that is N(4)-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N(4)-hydroxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatment of patients with COVID-19.

molnupiravir: prodrug that’s metabolized into N4-hydroxycytidine (NHC), a ribonucleoside analog
isopropyl ester;
ketoxime;
nucleoside analogue
anticoronaviral agent;
antiviral drug;
prodrug
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 muM).aldehyde;
indolecarboxamide;
monofluorobenzenes;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
paracymethadol hydrochloride, (s-(r*,r*))-isomer