Page last updated: 2024-10-24

lysosome

Definition

Target type: cellularcomponent

A small lytic vacuole that has cell cycle-independent morphology found in most animal cells and that contains a variety of hydrolases, most of which have their maximal activities in the pH range 5-6. The contained enzymes display latency if properly isolated. About 40 different lysosomal hydrolases are known and lysosomes have a great variety of morphologies and functions. [GOC:mah, ISBN:0198506732]

Lysosomes are membrane-bound organelles found in the cytoplasm of eukaryotic cells. They are responsible for the degradation of cellular waste products, macromolecules, and pathogens through the action of hydrolytic enzymes. Lysosomes are characterized by their acidic pH (around 4.5-5.0), which is maintained by proton pumps embedded in their membrane. This acidic environment is essential for the optimal activity of the hydrolytic enzymes. The lysosomal membrane also contains a variety of transporters that allow the import of substrates into the lysosome for degradation and the export of degradation products. The morphology of lysosomes is highly variable, ranging from small, spherical vesicles to larger, irregular bodies. The size and shape of lysosomes can vary depending on the cell type and its metabolic state. Lysosomes are dynamic organelles that constantly fuse with other organelles, such as endosomes and autophagosomes, to deliver their cargo for degradation. Lysosomal dysfunction is associated with a variety of human diseases, including lysosomal storage disorders, cancer, and neurodegenerative diseases.'
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Proteins (103)

ProteinDefinitionTaxonomy
Beta-galactosidaseA eukaryotic-type beta-galactosidase that is encoded in the genome of cow. [OMA:Q58D55, PRO:DAN]Bos taurus (cattle)
Lysosomal acid glucosylceramidaseA lysosomal acid glucosylceramidase that is encoded in the genome of cow. [OMA:Q2KHZ8, PRO:DNx]Bos taurus (cattle)
Sphingomyelin phosphodiesterase[no definition available]Bos taurus (cattle)
Cathepsin D [no definition available]Bos taurus (cattle)
Adenosine deaminase An adenosine deaminase that is encoded in the genome of cow. [OMA:P56658, PRO:DNx]Bos taurus (cattle)
Cathepsin BA cathepsin B that is encoded in the genome of cow. [OMA:P07688, PRO:DNx]Bos taurus (cattle)
Beta-glucuronidase [no definition available]Bos taurus (cattle)
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)
Cathepsin L2A cathepsin L2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60911]Homo sapiens (human)
N(4)-(beta-N-acetylglucosaminyl)-L-asparaginaseAn N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20933]Homo sapiens (human)
Cathepsin KA cathepsin K that is encoded in the genome of human. [PRO:WCB, UniProtKB:P43235]Homo sapiens (human)
Cathepsin BA cathepsin B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07858]Homo sapiens (human)
Cathepsin SA cathepsin S that is encoded in the genome of human. [PRO:DNx, UniProtKB:P25774]Homo sapiens (human)
Cathepsin ZA cathepsin Z that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBR2]Homo sapiens (human)
Lysosomal alpha-mannosidaseA lysosomal alpha-mannosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00754]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)
SialinA sialin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRA2]Homo sapiens (human)
Dipeptidyl peptidase 1A dipeptidyl peptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53634]Homo sapiens (human)
Procathepsin LA procathepsin L that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07711]Homo sapiens (human)
Sialidase-4A sialidase-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WWR8]Homo sapiens (human)
Pro-cathepsin HA cathepsin H that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09668]Homo sapiens (human)
Sialidase-3A sialidase-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UQ49]Homo sapiens (human)
ProsaposinA prosaposin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07602]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)
Beta-hexosaminidase subunit betaA beta-hexosaminidase subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07686]Homo sapiens (human)
GalactocerebrosidaseA galactocerebrosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54803]Homo sapiens (human)
Sialidase-1A sialidase-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99519]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)
Cathepsin FA cathepsin F that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBX1]Homo sapiens (human)
Sialidase-2A sialidase-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y3R4]Homo sapiens (human)
HeparanaseA heparanase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y251]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)
Toll-like receptor 7A Toll-like receptor 7 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9NYK1]Homo sapiens (human)
Toll-like receptor 9A Toll-like receptor 9 that is encoded in the genome of human. []Homo sapiens (human)
SortilinA sortilin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99523]Homo sapiens (human)
Sialidase-1A sialidase-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99519]Homo sapiens (human)
Solute carrier organic anion transporter family member 2A1A solute carrier organic anion transporter family member 2A1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92959]Homo sapiens (human)
Sialidase-4A sialidase-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WWR8]Homo sapiens (human)
Sialidase-4A sialidase-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WWR8]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)
WD repeat-containing protein 48A WD repeat-containing protein 48 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TAF3]Homo sapiens (human)
Transient receptor potential cation channel subfamily V member 3A transient receptor potential cation channel TRPV3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q8NET8]Homo sapiens (human)
Proprotein convertase subtilisin/kexin type 9A proprotein convertase subtilisin/kexin type 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NBP7]Homo sapiens (human)
Regulatory-associated protein of mTORA regulatory-associated protein of mTOR that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N122]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)
Sigma intracellular receptor 2A sigma intracellular receptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5BJF2]Homo sapiens (human)
Calcitonin gene-related peptide type 1 receptorA calcitonin gene-related peptide type 1 receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16602]Homo sapiens (human)
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1CA dual specificity calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase 1C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14123]Homo sapiens (human)
Acid ceramidaseAn acid ceramidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13510]Homo sapiens (human)
Chitotriosidase-1A chitotriosidase-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13231]Homo sapiens (human)
Glutamate receptor ionotropic, NMDA 2BA glutamate receptor ionotropic, NMDA 2B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13224]Homo sapiens (human)
Ubiquitin carboxyl-terminal hydrolase 4A ubiquitin carboxyl-terminal hydrolase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13107]Homo sapiens (human)
Hyaluronidase-1A hyaluronidase-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12794]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)
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)
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)
Beta-secretase 1A beta-secretase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56817]Homo sapiens (human)
Dipeptidyl peptidase 1A dipeptidyl peptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53634]Homo sapiens (human)
Potassium voltage-gated channel subfamily KQT member 1A voltage-gated potassium channel subunit KCNQ1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P51787]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)
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)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alphaA phosphatidylinositol 5-phosphate 4-kinase type-2 alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48426]Homo sapiens (human)
Ubiquitin carboxyl-terminal hydrolase 5A ubiquitin carboxyl-terminal hydrolase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P45974]Homo sapiens (human)
Cathepsin KA cathepsin K that is encoded in the genome of human. [PRO:WCB, UniProtKB:P43235]Homo sapiens (human)
Serine/threonine-protein kinase mTORA serine/threonine-protein kinase mTOR that is encoded in the genome of human. [PRO:CL, UniProtKB:P42345]Homo sapiens (human)
Lysosomal acid lipase/cholesteryl ester hydrolaseA lysosomal acid lipase/cholesteryl ester hydrolase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P38571]Homo sapiens (human)
Alpha-synucleinAn alpha-synuclein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37840]Homo sapiens (human)
Cathepsin SA cathepsin S that is encoded in the genome of human. [PRO:DNx, UniProtKB:P25774]Homo sapiens (human)
N(4)-(beta-N-acetylglucosaminyl)-L-asparaginaseAn N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20933]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)
Sphingomyelin phosphodiesteraseA sphingomyelin phosphodiesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17405]Homo sapiens (human)
Sphingomyelin phosphodiesteraseA sphingomyelin phosphodiesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17405]Homo sapiens (human)
Potassium voltage-gated channel subfamily E member 1A potassium voltage-gated channel subfamily E member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15382]Homo sapiens (human)
TyrosinaseA tyrosinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14679]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)
Angiotensin-converting enzyme An angiotensin-converting enzyme that is encoded in the genome of human. [PRO:WCB, UniProtKB:P12821]Homo sapiens (human)
Lysosomal protective proteinA lysosomal protective protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10619]Homo sapiens (human)
Lysosomal alpha-glucosidaseA lysosomal alpha-glucosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10253]Homo sapiens (human)
Pro-cathepsin HA cathepsin H that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09668]Homo sapiens (human)
Steryl-sulfataseA steryl-sulfatase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08842]Homo sapiens (human)
Tyrosine-protein kinase HCKA tyrosine-protein kinase HCK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08631]Homo sapiens (human)
Cathepsin GA cathepsin G that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08311]Homo sapiens (human)
Cathepsin BA cathepsin B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07858]Homo sapiens (human)
Procathepsin LA procathepsin L that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07711]Homo sapiens (human)
ProsaposinA prosaposin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07602]Homo sapiens (human)
Beta-2 adrenergic receptorA beta-2 adrenergic receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P07550]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)
Cathepsin DA cathepsin D that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07339]Homo sapiens (human)
Alpha-galactosidase AAn alpha-galactosidase A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06280]Homo sapiens (human)
Insulin receptorAn insulin receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06213]Homo sapiens (human)
MyeloperoxidaseA myeloperoxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05164]Homo sapiens (human)
Lysosomal acid glucosylceramidaseA lysosomal acid glucosylceramidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04062]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)
Interleukin-1 betaAn interleukin-1 beta that is encoded in the genome of human. [PRO:CNA, UniProtKB:P01584]Homo sapiens (human)
Low-density lipoprotein receptorA low-density lipoprotein receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01130]Homo sapiens (human)
Adenosine deaminaseAn adenosine deaminase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00813]Homo sapiens (human)
Transient receptor potential cation channel subfamily M member 2A transient receptor potential cation channel subfamily M member 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94759]Homo sapiens (human)
Receptor activity-modifying protein 3A receptor activity-modifying protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60896]Homo sapiens (human)
Receptor activity-modifying protein 2A receptor activity-modifying protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60895]Homo sapiens (human)
Aldo-keto reductase family 1 member B10An aldo-keto reductase family 1 member B10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60218]Homo sapiens (human)
Group 10 secretory phospholipase A2A group 10 secretory phospholipase A2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15496]Homo sapiens (human)

Compounds (2,036)

CompoundDefinitionClassesRoles
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
adenine6-aminopurines;
purine nucleobase
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allantoinimidazolidine-2,4-dione;
ureas
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
benzaldehydebenzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
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
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
coumarin2H-chromen-2-one: coumarin derivativecoumarinsfluorescent dye;
human metabolite;
plant metabolite
cuminaldehydecuminaldehyde : A member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities.benzaldehydesinsecticide;
plant metabolite;
volatile oil component
phloroglucinolphloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5.

Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.
benzenetriol;
phenolic donor
algal 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
[3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammoniumacylcholine
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
hydroquinonebenzenediol;
hydroquinones
antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
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
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
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
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
phosphoenolpyruvatephosphoenolpyruvate : A monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid.

Phosphoenolpyruvate: A monocarboxylic acid anion derived from selective deprotonation of the carboxy group of phosphoenolpyruvic acid. It is a metabolic intermediate in GLYCOLYSIS; GLUCONEOGENESIS; and other pathways.

phosphoenolpyruvic acid : A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis.
carboxyalkyl phosphate;
monocarboxylic acid
fundamental metabolite
pyruvic acidpyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.

Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed)
2-oxo monocarboxylic acidcofactor;
fundamental metabolite
sperminepolyazaalkane;
tetramine
antioxidant;
fundamental metabolite;
immunosuppressive agent
succinic acidsuccinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.

Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851)
alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid
anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
tryptamineaminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines
human metabolite;
mouse metabolite;
plant metabolite
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
1,3-dipropyl-8-(4-sulfophenyl)xanthine1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist
s,s'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothioureaS,S'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea: structure in first source
my 5445MY 5445: potential platelet aggregation inhibitorpyridazines;
ring assembly
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
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
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
p-chloromercuribenzoic acidp-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent.chlorine molecular entity;
mercuribenzoic acid
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
6,7-dichloroquinoxaline-2,3-dionequinoxaline derivative
phenanthridonephenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.

phenanthridone: coal tar derivative; structure given in first source
lactam;
phenanthridines
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen
6-nitroso-1,2-benzopyrone
8-cyclopentyl-1,3-dimethylxanthine8-cyclopentyl-1,3-dimethylxanthine: prolongs epileptic seizures in ratsoxopurine
oxyquinolineOxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.

quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.
monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
tacrinetacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.

Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.
acridines;
aromatic amine
EC 3.1.1.7 (acetylcholinesterase) inhibitor
N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
abt 702bipyridines
acebutololacebutolol : An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.

Acebutolol: A cardioselective beta-1 adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm, as well as weak inherent sympathomimetic action.
aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
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
rtki cpdaromatic ether;
monochlorobenzenes;
quinazolines
antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
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
alfuzosinalfuzosin: structure given in first sourcemonocarboxylic acid amide;
quinazolines;
tetrahydrofuranol
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
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
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
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
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
arcaine1,4-diguanidinobutane : A guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions.

arcaine: RN given refers to parent cpd; structure
guanidines
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
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
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
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
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
ro 31-8425
bisoprololBisoprolol: A cardioselective beta-1 adrenergic blocker. It is effective in the management of HYPERTENSION and ANGINA PECTORIS.secondary alcohol;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bupranololBupranolol: An adrenergic-beta-2 antagonist that has been used for cardiac arrhythmia, angina pectoris, hypertension, glaucoma, and as an antithrombotic.aromatic ether
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
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
calmidazoliumcalmidazolium : An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein.

calmidazolium: powerful inhibitor of or red blood cell Ca++-ATPase & Ca++ transport into inside-out red blood cell vesicles; RN refers to chloride; structure in first source; an antagonist of calmodulin
imidazolium ionapoptosis inducer;
calmodulin antagonist
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
cannabinolCannabinol: A physiologically inactive constituent of Cannabis sativa L.dibenzopyran
cantharidinfurofuran
carbetapentanecarbetapentane: RN given refers to parent cpdbenzenes
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
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetylpyridiniumCetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.pyridinium ion
cgp 20712aimidazoles
cgp 12177CGP 12177 : A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group.aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound
beta-adrenergic antagonist
chloroquinechloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.

Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chloroxinechloroxine : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 have been substituted by chlorine. A synthetic antibacterial prepared by chlorination of quinolin-8-ol, it is used for the treatment of dandruff and seborrhoeic dermatitis of the scalp.monohydroxyquinoline;
organochlorine compound
antibacterial agent;
antifungal drug;
antiseborrheic
chlorpromazinechlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.

Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.
organochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
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
cimaterolbenzenes;
nitrile
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
clenbuterolclenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.

Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.
amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline
beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
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
clofibric acidclofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.

Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE.
aromatic ether;
monocarboxylic acid;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
clofoctoldiarylmethane
clomipramineclomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.

Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clorprenaline1-(2-chlorophenyl)-2-isopropylaminoethanol : A member of the class of monochlorobenzenes that is chlorobenzene which is substituted by a 1-hydroxy-2-[(propan-2-yl)amino]ethyl group at position 2.

clorprenaline : A racemate comprise of equimolar amounts of (R)- and (S)-clorprenaline. It is a beta2-adrenergic receptor agonist and a bronchodilator.
ethanolamines;
monochlorobenzenes;
secondary amino compound
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
cloxyquincloxyquin: has antitubercular activity; structure in first sourceorganochlorine compound;
quinolines
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
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
racemethorphan6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene : An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11.aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound
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
diclofenacdiclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.

Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.
amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
dichlorophenDichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.)bridged diphenyl fungicide;
diarylmethane
benzophenonebenzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.benzophenonesphotosensitizing agent;
plant metabolite
dipyridamoledipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.

Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752)
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
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
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
donepezil2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.

donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.

Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.
aromatic ether;
indanones;
piperidines;
racemate
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxazosindoxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure.

Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker.
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
ebastineorganic molecular entity
ebselenebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
econazole1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.

econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.

Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
9-(2-hydroxy-3-nonyl)adenine9-(2-hydroxy-3-nonyl)adenine: specific inhibitor of adenosine deaminase
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
etazolateetazolate : A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties.

Etazolate: A potent phosphodiesterase inhibitor proposed as an antipsychotic agent.
ethyl ester;
hydrazone;
pyrazolopyridine
alpha-secretase activator;
antidepressant;
antipsychotic agent;
anxiolytic drug;
GABA agent;
neuroprotective agent;
phosphodiesterase IV inhibitor
ethionethion : An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7).

ethion: minor descriptor (73-82); online & Index Medicus search INSECTICIDES, ORGANOTHIOPHOSPHATE (73-82)
organic thiophosphateacaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
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
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
fendilineFendiline: Coronary vasodilator; inhibits calcium function in muscle cells in excitation-contraction coupling; proposed as antiarrhythmic and antianginal agents.diarylmethane
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
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
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
formoterol fumarateN-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide : A phenylethanoloamine having 4-hydroxy and 3-formamido substituents on the phenyl ring and an N-(4-methoxyphenyl)propan-2-yl substituent.formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
fosfosalfosfosal: reagent for testing the activity of certain enzymesaryl phosphate
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
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.
fasudilfasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.

fasudil: intracellular calcium antagonist; structure in first source
isoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
haloperidolhaloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.

Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279)
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
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
hexestrolstilbenoid
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
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
p-hydroxyamphetaminep-Hydroxyamphetamine: Amphetamine metabolite with sympathomimetic effects. It is sometimes called alpha-methyltyramine, which may also refer to the meta isomer, gepefrine.amphetamines
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
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
ici 118551indanes
ifenprodilifenprodil: NMDA receptor antagonistpiperidines
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
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
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
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
isoniazidHydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.

hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).
carbohydrazideantitubercular agent;
drug allergen
isoproterenolisoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.

Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.
catechols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
itraconazolepiperazines
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanoneZM39923: structure in first sourcenaphthalenes
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
kojic acid4-pyranones;
enol;
primary alcohol
Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
kynurenic 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
2-amino-3-phosphonopropionic acid2-amino-3-phosphonopropanoic acid : A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group.

2-amino-3-phosphonopropionic acid: metabotropic glutamate receptor antagonist; do not confuse AP-3 used as an abbreviation for this with enhancer-binding protein AP-3 (a trans-activator) or clathrin assembly protein AP-3
alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids
human metabolite;
metabotropic glutamate receptor antagonist
labetalol2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.

labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.

Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine1,2,4-triazines;
dichlorobenzene;
primary arylamine
anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazoleLansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers.benzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachonebeta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.

beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase
benzochromenone;
orthoquinones
anti-inflammatory agent;
antineoplastic agent;
plant metabolite
letrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
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
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
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
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
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
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
mequitazinemequitazine: RN given refers to parent cpd without isomeric designation; structurephenothiazines
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
methazolamideMethazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.sulfonamide;
thiadiazoles
methoctraminearomatic ether;
tetramine
muscarinic antagonist
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
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
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
milrinonebipyridines;
nitrile;
pyridone
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
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
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.
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
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
nemonaprideN-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide : A benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine.benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline
nialamideNialamide: An MAO inhibitor that is used as an antidepressive agent.organonitrogen compound;
organooxygen compound
niclosamideniclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.

Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48)
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nifedipineNifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.C-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
niflumic acidNiflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.aromatic carboxylic acid;
pyridines
nimesulidenimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.

nimesulide: structure
aromatic ether;
C-nitro compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipinenimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.

Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
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
masoprocolnordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)catechols;
lignan;
tetrol
antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
o(6)-benzylguanineO(6)-benzylguanine: a suicide inhibitor of O(6)-methylguanine-DNA methyltransferase activity
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
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
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
pentoxifyllineoxopurine
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
pomiferinpomiferin: structure in first sourceisoflavanones
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
ppm 18naphthoquinone
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
procaterolProcaterol: A long-acting beta-2-adrenergic receptor agonist.quinolines
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
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
pronethalolpronethalol: was heading 1964-94 (Prov 1964-66); NAPHTHYLISOPROTERENOL was see PRONETHALOL 1977-94; use ETHANOLAMINES to search PRONETHALOL 1966-94naphthalenes
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
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
pyrimethamineMaloprim: contains above 2 cpdsaminopyrimidine;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-oneindoles
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
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
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases.methoxybenzenes
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol : A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine.

salmeterol : A racemate consisting of equal parts of (R)- and (S)-salmeterol. It is a potent and selective beta2-adrenoceptor agonist (EC50 = 5.3 nM). Unlike other beta2 agonists, it binds to the exo-site domain of beta2 receptors, producing a slow onset of action and prolonged activation.
ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sanguinarinebenzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family.alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent
sb 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
dpi 201-106DPI 201-106: structure given in first sourcediarylmethane
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
ACar 18-0O-acylcarnitine
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
sulmazolesulmazole : An imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardiotonic agent.

sulmazole: structure given in first source
imidazopyridine;
sulfoxide
adenosine A1 receptor antagonist;
cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
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
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
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
thioridazinethioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.

Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.
phenothiazines;
piperidines
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiramthiram : An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment.

Thiram: A dithiocarbamate chemical, used commercially in the rubber processing industry and as a fungicide. In vivo studies indicate that it inactivates the enzyme GLUTATHIONE REDUCTASE. It has mutagenic activity and may induce chromosomal aberrations.
organic disulfideantibacterial drug;
antifungal agrochemical;
antiseptic drug
triamterenetriamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.

Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.
pteridinesdiuretic;
sodium channel blocker
triclosanaromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols
antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
trifluoperazineN-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines
antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
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
tyraminemonoamine molecular messenger;
primary amino compound;
tyramines
EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
tyrphostin a9alkylbenzenegeroprotector
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
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
isoproterenol hydrochloridecatechols
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
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
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
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
isoflurophateIsoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM.dialkyl phosphate
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
phenylephrinephenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.

Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.
phenols;
phenylethanolamines;
secondary amino compound
alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
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
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
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
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
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
ficusinFicusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.

psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.
psoralensplant 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
tryptophantryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.

Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
L-alpha-amino acid zwitterion;
proteinogenic amino acid;
tryptophan;
tryptophan zwitterion
antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
n,n'-diphenyl-4-phenylenediamineN,N'-diphenyl-1,4-phenylenediamine : An N-substituted diamine that is 1,4-phenylenediamine in which one hydrogen from each amino group is replaced by a phenyl group.

N,N'-diphenyl-4-phenylenediamine: in veterinary medicine, has been used to prevent vitamin E deficiency in lambs; structure
N-substituted diamine;
secondary amino compound
antioxidant
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
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
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
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
salicylaldehydeo-hydroxybenzaldehyde: structure in first sourcehydroxybenzaldehydenematicide;
plant metabolite
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
quinolineazaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
uvitex swnUvitex SWN: optical brightner from Ciba; structure7-aminocoumarinsfluorochrome
phenothiazine10H-phenothiazine : The 10H-tautomer of phenothiazine.phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
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
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
butylphen4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4.

butylphen: irritant; structure
phenolsallergen
4-toluic acid4-toluic acid: RN given refers to parent cpd; structure

p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4.
methylbenzoic acid
methylenebis(chloroaniline)4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge.

Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.
chloroanilinemetabolite
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
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
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
scoparonescoparone : A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities.

scoparone: structure
aromatic ether;
coumarins
anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
benzethonium chloridebenzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses.aromatic ether;
chloride salt;
quaternary ammonium salt
antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
sulfan bluesulfan blue: widely used to visualize lymph vessels for lymphography; structureorganic molecular entity
1,4-naphthoquinone1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.

naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.
1,4-naphthoquinones
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
carzenidesulfonamide
4-nitrosodimethylaniline4-nitrosodimethylaniline: structure; RN given refers to parent cpd

N,N-dimethyl-4-nitrosoaniline : A member of the class of dimethylanilines that is N,N-dimethylaniline having a nitroso group at the 4-position.
dimethylaniline;
nitroso compound;
tertiary amino compound
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-chloroadenosine5-chloroformycin A: structure given in first sourcepurine nucleoside
2-fluoroadenosineadenosines;
organofluorine compound
diphenhydramine hydrochlorideAntitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.

diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.
hydrochloride;
organoammonium salt
anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
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
indopanalpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position.

indopan: RN given refers to parent cpd without isomeric designation
tryptamines
methyl-4-tyraminemethyl-4-tyramine: found in barley malt; RN given refers to parent cpd; structure given in first sourcetyraminesmouse metabolite
lithocholic acidlithocholate : A bile acid anion that is the conjugate base of lithocholic acid.

lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.

Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.
bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid
geroprotector;
human metabolite;
mouse metabolite
glycyrrhetinic acidcyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
immunomodulator;
plant metabolite
rheindihydroxyanthraquinone
indirubin
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
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
monomethyl succinate2-methylbutanedioic acid : A dicarboxylic acid that is butanedioic acid substituted at position 2 by a methyl group.

methylsuccinic acid : A racemate comprising equimolar amounts of (R)- and (S)-methylsuccinic acid

methylsuccinic acid: RN given refers to cpd without isomeric designation
dicarboxylic acid
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
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite
hesperidinhesperidin : A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

Hesperidin: A flavanone glycoside found in CITRUS fruit peels.
3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside
mutagen
isoquinoline-1,3,4-trioneisoquinoline-1,3,4-trione: structure in first source
angelicinangelicin: used as tranquillizer; sedative; or anticonvulsant; structurefuranocoumarin
dibromsalicildibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic
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
dazometdazomet : A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide.

dazomet: fumigant for poultry litter & eggs to control salmonella; structure
dithiocarbamic ester;
thiadiazinane
antibacterial agent;
antifungal agrochemical;
herbicide;
nematicide
evernic acidevernic acid: RN given refers to parent cpdcarbonyl compound
nitrophenidenitrophenide: Structure in first source
glycylglycinedipeptide;
dipeptide zwitterion
human metabolite
isoxsuprine hydrochloridealkylbenzene
1,2-Dihydroquinolin-2-imineaminoquinoline
pentabromophenol
3,4,5-trichlorophenol
n-phenylpyrroleN-phenylpyrrole: structure in first source
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
gamma-thujaplicin2-hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone: a metal chelating agentcyclic ketone
phenylphosphatephenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.

phenylphosphate: structure given in first source
aryl phosphatemouse metabolite
indole-3-acetic acid ethyl esterindole-3-acetic acids
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
2'-deoxyadenosine2'-deoxyformycin A: RN not in Chemline 9/85; RN and structure given in first sourcepurine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
adenosine 5'-tetraphosphateadenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase.adenosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate
2-amino-7-nitrofluorene2-amino-7-nitrofluorene: structure in first source
dehydroepiandrosterone acetate3beta-acetoxyandrost-5-en-17-one: structure in first sourcesteroid ester
carmineCarmine: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker.
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
bisphenol a-glycidyl methacrylateBisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.diarylmethane
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
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
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
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
2,4-diacetylphloroglucinol2,4-diacetylphloroglucinol : A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups.

2,4-diacetylphloroglucinol: produced by Pseudomonas aurantiaca
aromatic ketone;
benzenetriol;
diketone;
methyl ketone
antifungal agent;
bacterial metabolite
n-methyllaurotetanineN-methyllaurotetanine: structure in first source
azaribineazaribine : A N-glycosyl-1,2,4-triazine that is 6-azauridine acetylated at positions 2', 3' and 5' on the sugar ring. It is a prodrug for 6-azauridine and is used for treatment of psoriasis.

azaribine: pyrimidine analogue; anti-metabolite used in psoriasis & mycosis fungoides;
acetate ester;
N-glycosyl-1,2,4-triazine
antipsoriatic;
prodrug
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
ethyl violetethyl violet : An organic chloride salt that is the monochloride salt of ethyl violet cation. Used for inclusion in mixed dye solutions of the iron resorcin fuchsin type for demonstrating elastic fibres.

ethyl violet: RN given refers to parent cpd
organic chloride saltfluorochrome;
histological dye
aviprinaviprin: isolated from Angelica dahurica; structure in first sourcefuranocoumarinmetabolite
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
2-amino-2',5-dichlorobenzophenone2-amino-2',5-dichlorobenzophenone: structure given in first source
2-(2-hydroxyphenyl)benzothiazole2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2.benzothiazoles;
phenols
geroprotector
n-(4-dimethylamino-3,5-dinitrophenyl)maleimide
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
dideoxyadenosineDideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite.adenosines;
purine 2',3'-dideoxyribonucleoside
EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor
1,6-bismaleimidohexane
2,3,4,5-tetrachlorophenate2,3,4,5-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 5.

tetrachlorophenol : A chlorophenol that is phenol in which four of the hydrogens attached to the benzene ring are replaced by chlorines.

tetrachlorophenol: RN given refers to cpd with unspecified isomeric designation; see also record for 2,3,4,6-tetrachlorophenol
tetrachlorophenolxenobiotic metabolite
dexpropranololpropranolol
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
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
3-deazaadenosine3-deazaadenosine: RN given refers to parent cpd.
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
fenestrelfenestrel: synonym ORF-4563 refers to Na salt; RN given refers to parent cpdbenzenes
coformycincoformycinsEC 3.5.4.4 (adenosine deaminase) inhibitor
cysteic acidcysteic acid : An amino sulfonic acid that is the sulfonic acid analogue of cysteine.

Cysteic Acid: Beta-Sulfoalanine. An amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather.
alanine derivative;
amino sulfonic acid;
carboxyalkanesulfonic acid;
cysteine derivative;
non-proteinogenic alpha-amino acid
animal metabolite
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
clioxanideclioxanide: structure
selegilineSelegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl.selegiline;
terminal acetylenic compound
geroprotector
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
2,3-dihydroxyquinoxaline2,3-dihydroxyquinoxaline: fluorescent oxalic acid deriv.
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
lisurideLisuride: An ergot derivative that acts as an agonist at dopamine D2 receptors (DOPAMINE AGONISTS). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (SEROTONIN RECEPTOR AGONISTS).monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
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
cannabichromene1-benzopyran
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
bromocriptineBromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
1,2-diphenylhydrazine
4-anisaldehyde4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696

p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.
benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
cetyldimethylethylammonium bromide
ursodeoxycholic acidursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.

Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazineN-alkylpiperazine;
organic heterotricyclic compound
(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
oxypeucadanin, (s)-(-)-isomerepoxide;
furanocoumarin;
lactone
plant metabolite
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
adenosine diphosphate riboseAdenosine Diphosphate Ribose: An ester formed between the aldehydic carbon of RIBOSE and the terminal phosphate of ADENOSINE DIPHOSPHATE. It is produced by the hydrolysis of nicotinamide-adenine dinucleotide (NAD) by a variety of enzymes, some of which transfer an ADP-ribosyl group to target proteins.ADP-sugarEscherichia coli metabolite;
mouse metabolite
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
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
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
enilconazole1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group.

enilconazole : A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches.

enilconazole: RN given refers to parent cpd
dichlorobenzene;
ether;
imidazoles
wr 171,699
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
isovelleralisovelleral: structure given in first sourcealdehyde
zinterol
bezafibratearomatic ether;
monocarboxylic acid;
monocarboxylic acid amide;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
sq-11725nadolol : Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.

Nadolol: A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for MIGRAINE DISORDERS and for tremor.
triadimefon1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one : A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles
levobunolollevobunolol : A cyclic ketone that is 3,4-dihydronaphthalen-1-one substituted at position 5 by a 3-(tert-butylamino)-2-hydroxypropoxy group (the S-enantiomer). A non-selective beta-adrenergic antagonist used (as its hydrochloride salt) for treatment of glaucoma.

Levobunolol: The L-Isomer of bunolol.
aromatic ether;
cyclic ketone;
propanolamine
antiglaucoma drug;
beta-adrenergic antagonist
lonidaminelonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.

lonidamine: structure
dichlorobenzene;
indazoles;
monocarboxylic acid
antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
aminomebendazoleaminomebendazole: structure in first sourcebenzophenones
Nanaomycinbenzoisochromanequinone
nicardipine hydrochloridedihydropyridinegeroprotector
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
acarbosetetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
eg 626phthalazinol: RN given refers to parent cpd; do not confuse with phthalazinol: 62054-23-3; thromboxane A2 antagonistphthalazines
paroxetineparoxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.

Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
triciribine phosphate
captoprilcaptopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.

Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
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
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
pergolidepergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.

Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.
diamine;
methyl sulfide;
organic heterotetracyclic compound
antiparkinson drug;
dopamine agonist
triclabendazolearomatic ether
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
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
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
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
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
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
flestololflestolol: short-acting beta blockader
imazodanimazodan: RN & structure given in first source;
ractopamine4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol : A secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group.

ractopamine : A diastereoisomeric mixture of approximately equal amounts of all four possible diastereoisomers of 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol. A beta-adrenergic agonist, it is used (generally as the hydrochloride salt) as a feed additive for use in pigs and other livestock to promote protein deposition, resulting in leaner meat. The R,R diastereoisomer, butopamine, is responsible for most of the leanness-enhancing effects. While use of ractopamine has been banned in over 120 countries including throughout the EU, in the US it used in an estimated 80% of all beef, pork and turkey production.

ractopamine: veterinary growth stimulant
benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
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
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
enalkirenpeptide
(S)-betaxolol(S)-betaxolol : The (S)-enantiomer of betaxolol.betaxolol
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
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
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
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
zanamivirZanamivir: A guanido-neuraminic acid that is used to inhibit NEURAMINIDASE.guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
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
octyl gallategallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
sudan black bSudan black B : A member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections.azobenzenes;
bis(azo) compound;
perimidines
histological dye
coomassie brilliant blue rkenacid blue: RN given refers to cpd with unknown MF
d-lactic acid(R)-lactic acid : An optically active form of lactic acid having (R)-configuration.2-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
daunorubicin hydrochlorideanthracycline
propranolol hydrochlorideInderex: combination of above cpds; used in treatment of hypertensionhydrochloride
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
carmoterolcarmoterol: CHF4226.01 and CHF4232.01 are diastereoisomers; structure in first source
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
terlakirenterlakiren: RN given for (R-(R*,S*))-isomerpeptide
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
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
2'3'-didehydro-2'3'-dideoxyadenosine2'3'-didehydro-2'3'-dideoxyadenosine: structure given in first source
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
epigallocatechin gallate(-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.

epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis)
flavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
gallocatechol(+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.

gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii.

gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases
gallocatechinantioxidant;
metabolite;
radical scavenger
xanthotoxol8-hydroxyfurocoumarin : A furanocoumarin which bears a hydroxy group at position 8.8-hydroxyfurocoumarin
25-hydroxycholesterol25-hydroxy steroid;
oxysterol
human metabolite
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
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
epirubicin hydrochloride
befol
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
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
benzylanilinebenzylaniline: major metabolite of antazoline; RN given refers to parent cpd
sotalol hydrochloridesotalol hydrochloride : A hydrochloride salt that is the monohydrochloride of sotalol. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.hydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist
17-methylestradiol17-methylestradiol: RN given refers to parent cpd(17beta)-isomer3-hydroxy steroid
17 beta-estradiol hemisuccinate
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.
salicylhydroxamic acidhydroxamic acid;
phenols
antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
9,10-anthraquinone 2-carboxylic acid9,10-anthraquinone 2-carboxylic acid: structure in first source
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
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
isopimpinellinisopimpinellin: from Ruta graveolens & Heracleum lanatum; structurepsoralens
isoimperatorinisoimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.

isoimperatorin: tumor necrosis factor antagonist isolated from Glehniae root
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
5-hydroxyflavoneflavones
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
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
meconinmeconin: a marker for illicit opiate use2-benzofurans
suberosinsuberosin : A member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata.

suberosin: has anti-inflammatory activity
aromatic ether;
coumarins
anticoagulant;
plant metabolite
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.
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.
sanguinarine chloride
talinololureas
budipinebudipine: RN given refers to parent cpd; structure in Negwer, 5th ed, #6541diarylmethane
bithionol sulfoxidebithionol sulfoxide: RN given refers to parent cpd; structure
4(5)-phenylimidazole4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist
2-phenylimidazole
2-hydroxy-4-methoxybenzaldehyde2-hydroxy-4-methoxybenzaldehyde: from African medicinal plants: Mondia whitei (Apocynaceae), Rhus vulagaris (Anacardiaceae), Sclerocarya caffra (Anacardiaceae)methoxybenzenes;
phenols
2,6-di-tert-butyl-4-nitrophenol2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines
1-hydroxy-2(1h)-pyridinone1-hydroxy-2(1H)-pyridinone: structure in first source
1-(4-pyridyl)piperazine1-(4-pyridyl)piperazine: structure in first source
2-(2'-pyridyl)benzimidazole2-(2'-pyridyl)benzimidazole: structure in first source
2,3,4-trihydroxbenzophenone2,3,4-trihydroxbenzophenone : A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator.benzenetriol;
hydroxybenzophenone
drug metabolite;
EC 1.14.18.1 (tyrosinase) inhibitor;
human urinary metabolite;
quorum sensing inhibitor;
rat metabolite
2,2',2''-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
2-Methoxyxanthonexanthones
rentiaprilrentiapril: RN given refers to cpd without isomeric designation
nebivolol2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] : A member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group.chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
libenzaprillibenzapril: structure given in first sourcedipeptide
uk 68798aromatic ether;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
potassium channel blocker
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
labetalol hydrochloridesalicylamides
carazololcarazolol: RN given refers to parent cpd without isomeric designation; structurecarbazoles
bufrolinbufrolin: inhibits the release of histamine; proposed for treatment of hay fever, asthma and skin allergies; minor descriptor (79-86); on line & INDEX MEDICUS search PHENANTHROLINES (79-86); RN given refers to parent cpd
2-aminoadenosinepurine nucleoside
3-octadecanamido-2-ethoxypropylphosphocholine3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source
1-deoxymannojirimycin
fagominefagomine: structure in first sourcepiperidines
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
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
honokiolbiphenyls
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
methyl fluorone blackmethyl fluorone black: structure
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
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
methylene violetmethylene violet: structure given in first source
(-)-catechin(-)-catechin : The (-)-enantiomer of catechin.catechinmetabolite
2-chloranil
heraclenolheraclenol: isolated from the herb Huanghuaren
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
amperozide hydrochlorideamperozide hydrochloride : The hydrochloride salt of amperozide.hydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
calpeptinamino acid amide
bromosuccinic acidbromosuccinic acid : A dicarboxylic acid that is succinic acid substituted at position 2 by a bromine atom.

bromosuccinic acid: RN given refers to undesignated isomer
2-bromocarboxylic acid;
dicarboxylic acid
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
sakuranetinsakuranetin : A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group.

sakuranetin: major rice phytoalexin; RN given for ((S)-(-))-isomer; structure in first source
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavonoid phytoalexin;
monomethoxyflavanone
antimycobacterial drug;
plant metabolite
maslinic acid(2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoriadihydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
Pyrrolidine-1-carbonitrilepyrrolidines
1-aminoisoquinoline
n-benzylmaleimide
Oroselonefuranocoumarin
2-phenylisatogen2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure
2-bromo-1,4-naphthoquinone2-bromo-1,4-naphthoquinone: structure in first source
N-Benzylphthalimideisoindoles
4-(2-thiazolylazo)resorcinol4-(2-thiazolylazo)resorcinol: sensitive indicator for metals
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
terephthalamidebenzenedicarboxamide
rivastigminecarbamate ester;
tertiary amino compound
cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
2-methyl-4-nitroquinoline 1-oxide2-methyl-4-nitroquinoline 1-oxide: structure
alpha-thujaplicinalpha-thujaplicin: structure in first source
2-(carboxymethylthio)benzothiazole2-(carboxymethylthio)benzothiazole: oxidation product of 2-(hydroxyethylthio)benzothiazole; structure given in first source
1-(10h-phenothiazin-2-yl)ethanone1-(10H-phenothiazin-2-yl)ethanone: structure in first sourcephenothiazines
6,7-dichloroquinoxaline-2,3-dione
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
8-(4-tolylsulfonylamino)quinoline8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first sourcesulfonamide
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
alanylprolinealanylproline: RN given refers to all (L)-isomerdipeptide;
dipeptide zwitterion
metabolite
n-(4-(2-benzoxazolyl)phenyl)maleimide
moexiprilpeptide
fluazinamfluazinam : A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens.

fluazinam: structure given in first source
(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound
allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
glycyltryptophanGly-Trp : A dipeptide formed from glycine and L-tryptophan residues.

glycyltryptophan: RN given refers to (L)-isomer
dipeptidemetabolite
columbianetin, (s)-isomer(S)-columbianetin : The (S)-(+)-enantiomer of columbianetin.columbianetin
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
lopinaviramphetamines;
dicarboxylic acid diamide
anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
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
acetoxyestronepuboestrene: from the bark of Holarrhena pubescens; structure in first source
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
(6ar-trans)-isomer of tetrahydrocannabivarin 9
1-(2-thiazolylazo)-2-naphthol1-(2-thiazolylazo)-2-naphthol: used to locate cadmium not bound to metallothionein
cortisol octanoatecorticosteroid hormone
bnps-skatoleBNPS-skatole : A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group. It is used particularly for the selective cleavage of tryptophanyl peptide bonds (cleavage occurs at peptide bonds after amino acids with available C(gamma)=C(delta) double bonds such as tryptophan, tyrosine, and histidine).aryl sulfide;
bromoindole;
C-nitro compound
reagent
2,6-diamino-9-(2-hydroxyethoxymethyl)purine2,6-diamino-9-(2-hydroxyethoxymethyl)purine: adenosine deaminase converts above cpd to acylovir
efuamideefuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source
diffractaic aciddifractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first sourcecarbonyl compound
ska-31
1-phenazinecarboxylic acid1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source

phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group.
aromatic carboxylic acid;
monocarboxylic acid;
phenazines
antifungal agent;
antimicrobial agent;
bacterial metabolite
8-azaadenosineN-glycosyl compound
alanylphenylalaninealanylphenylalanine: RN given refers to (L-Ala-L-PheAla)-isomerdipeptidemetabolite
8-aminoadenosine
tryptophylglycineTrp-Gly : A dipeptide formed from L-tryptophan and glycine residues.dipeptidemetabolite
glycylaspartic acidglycylaspartic acid: RN given refers to (L)-isomerdipeptidemetabolite
adenosine-5'-carboxylic acidpurine nucleoside
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
phellopterinphellopterin: a naturally occurring furanocoumarin found in roots of Angelica dahurica; structure in first sourcepsoralens
3-[3-(trifluoromethyl)phenyl]-1-methylureaa 1-methyl-3-phenylurea
n-glycylglutamic acidGly-Glu : A dipeptide formed from glycyl and L-glutamic acid residues.

N-glycylglutamic acid: RN given refers to (L)-isomer
dipeptidemetabolite
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
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
arctiinarctiin: from fruits of Arctium lappa L; RN given refers to (3R-trans)-isomer; RN for cpd without isomeric designation not avail 12/92glycoside;
lignan
7-amino-4-trifluoromethylcoumarincoumarin 151: structure in first source7-aminocoumarinsfluorochrome
histidylglycineHis-Gly : A dipeptide formed from L-histidine and glycine residues.

histidylglycine: RN given refers to all (L)-isomer
dipeptidemetabolite
erythrodioldiol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol
plant metabolite
alphaxalonealphaxalone: RN given refers to (3alpha,5alpha)-isomer; structurecorticosteroid hormone
cp-55,940
u 74006ftirilazad: a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedoxcorticosteroid hormone
pregnenolone sulfatepregnenolone sulfate: RN given refers to (3 beta)-isomersteroid sulfateEC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite
cv 3988CV 3988: platelet activating factor antagonist; structure given in first source
sivelestatsivelestat: inhibitor of neutrophil elastase; structure given in first sourceN-acylglycine;
pivalate ester
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
fr 139317FR 139317: endothelin receptor A antagonist; structure given in first source
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
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
Zearalanonemacrolide;
resorcinols
tadalafilbenzodioxoles;
pyrazinopyridoindole
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
1-(carboxymethylthio)tetradecane1-(carboxymethylthio)tetradecane: structure given in first source; alkylthio acetic acid, non-beta-oxidizablestraight-chain fatty acid
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
paliperidone3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one : A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

paliperidone : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone. Paliperidone is the primary active metabolite of the older antipsychotic risperidone and is used for treatment of schizophrenia.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
asiatic acidmonocarboxylic acid;
pentacyclic triterpenoid;
triol
angiogenesis modulating agent;
metabolite
sr 48692SR 48692: structure in first source; a neurotensin receptor-1 antagonistN-acyl-amino acid
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
293b cpd6-cyano-4-(N-ethylsulfonyl-N-methylamino)-3-hydroxy-2,2-dimethylchromane: RN given for (trans-(+-))-isomer1-benzopyran
sb 204070a
24-hydroxycholesterol(24S)-24-hydroxycholesterol : A 24-hydroxycholesterol that has S configuration at position 24. It is the major metabolic breakdown product of cholesterol in the brain.24-hydroxycholesterolbiomarker;
human blood serum metabolite;
mouse metabolite
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
pd 128042PD 128042: structure given in first sourceanilide
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
procyanidin b2procyanidin B2 : A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine.biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin
antioxidant;
metabolite
levalbuterolLevalbuterol: The R-isomer of albuterol.albuterol
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
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.

N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist
adenosines;
monocarboxylic acid amide;
organoiodine compound
adenosine A3 receptor agonist
ici 89406ICI 89406: RN given refers to parent cpdureas
sq 28603SQ 28603: a selective neutral endopeptidase inhibitor
glycylglutamineglycylglutamine: inhibitory neuropeptide derived from beta-endorphin; RN given refers to (L)-isomerdipeptide;
dipeptide zwitterion
metabolite;
protective agent
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
glabridinhydroxyisoflavansantiplasmodial drug
1,2,3,4-tetrahydroxy-nor-tropanecalystegine B(2): RN given for (2-endo,3-exo,4-endo)-isomer; structure in first source
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
6-methoxypurine arabinoside
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
lestaurtinibindolocarbazole
estrone-3-o-sulfamateestrone-3-O-sulfamate: a steroid sulfatase inhibitor
ly 293558tezampanel: structure given in first source; an AMPA receptor antagonist
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source
(hydroxy-2-naphthalenylmethyl)phosphonic acid(hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source
foy 2514-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate
omeprazole magnesiumesomeprazole magnesium : A magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome.benzimidazoles;
sulfoxide
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide
phlorofucofuroeckol aphlorofucofuroeckol A: phlorotannin from Ecklonia kurome; structure given in first source
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
n-(3-ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
sc 53116SC 53116: serotonin agonist; pyrrolizidine cpd but not alkaloid; structure given in first source
3-(mercaptomethyl)-2-oxo-1-piperidineacetic acid
retrothiorphanretrothiorphan: RETRO-THIORPHAN was an EN to THIORPHAN 1989-93
h 142H 142: decapeptide inhibitor of human renin; RN given refers to all L-isomer
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer
a 58365aA 58365A: from Streptomyces chromofuscus; structure given in second source
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
eckoleckol : A phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity.

eckol: structure given in first source; isolated from brown alga Ecklonia kurome Okamura; inhibitor of alpha 2-antiplasmin
phlorotanninantioxidant;
metabolite
3-octylthio-1,1,1-trifluoro-2-propanone3-octylthio-1,1,1-trifluoro-2-propanone: a pesticide synergist; inhibits juvenile hormone esterase
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
9-(2-hydroxy-3-nonyl)adenine(2R,3S)-EHNA : EHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.EHNAEC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor
9-(2-hydroxy-3-nonyl)adenine(2S,3R)-EHNA : EHNA of absolute configuration 2S,3R.EHNA
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
aspartylglycineAsp-Gly : A dipeptide composed of L-aspartic acid and glycine joined by a peptide linkage.dipeptidemetabolite
cilomilastmethoxybenzenes
ptk 787vatalanib succinate : A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.succinate saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
vatalanibmonochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
8-(methylsulfonylamino)quinoline8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source
moxifloxacinmoxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.

Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.
aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
antibacterial drug
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
solifenacinisoquinolines
bcx 18123-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
cyanopindololindoles
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
compound 20
besonprodilbesonprodil: CI-1041 is also known as PD19680; NMDA receptor antagonist for treatment of Parkinson's disease; structure in first source
canertinib dihydrochloride
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
bila 2157 bsBILA 2157 BS: renin inhibitor; RN given for (1S-(1R*(S*),2S*,3R*))-isomer; structure in first source
camphora(R)-camphor : The (R)- enantiomer of camphor.

camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris
camphor
telbivudinepyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
homonojirimycinhomonojirimycin: inhibits alpha-glucosidase; RN given for (2R-(2alpha,3alpha,4beta,5alpha,6beta))-isomer; structure in first source
bb3497BB3497: peptide deformylase inhibitor; structure in first source
resiquimodS 28463: structure given in first sourceimidazoquinoline
1-deazaadenosine1-deazaadenosine: inhibits nucleic acid & protein synthesis; structure given in first source
4,8-dimethyl-5'-carboxypsoralen4,8-dimethyl-5'-carboxypsoralen: major metabolite of trioxsalen
2-chloroacetoacetanilide2-chloroacetoacetanilide: structure 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
2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one: structure in first source
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
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
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
cyclophellitolcyclophellitol: structure given in first source; isolated from Phellinus sp.
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
2-phenyl-1,2-benzisothiazol-3-(2h)-one2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen
barbatic acidbarbatic acid: structure in first sourcecarbonyl compound
n-valyltryptophanN-valyltryptophan: RN given refers to (L)-isomerpeptide
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
abt 980
valiolaminevaliolamine: isolated from Streptomyces hygroscopicus; RN from CA Index; RN not in Chemline 2/85
chrysomycin b
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
nbi 27914dialkylarylamine;
tertiary amino compound
enzastaurinindoles;
maleimides
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
dizocilpinesecondary amino compound;
tetracyclic antidepressant
anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
nantenine, (+-)-isomer
(+)-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
calystegine a3calystegine A3: also inhibits beta-xylosidase; structure in first source
ak 295AK 295: a dipeptide alpha-ketoamide calpain inhibitor
sibenadetsibenadet: structure in first source
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
pefabloc
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
cns 5161CNS 5161: structure in first source
etravirineaminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound
antiviral agent;
HIV-1 reverse transcriptase inhibitor
succinylprolineN-acyl-amino acid
inositol 2,4,6-triphosphate
(-)-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-n-butylresorcinol4-n-butylresorcinol: structure in first sourceresorcinols
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
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
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
senicapocsenicapoc: a Gardos channel blocker; structure in first source
nutlin 3stilbenoid
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
cp 101,606traxoprodil mesylate: a selective NMDA antagonist; structure given in first source
1-methylpropyl-2-imidazolyl disulfide1-methylpropyl-2-imidazolyl disulfide: a thioredoxin inhibitor with antineoplastic activityimidazoles
1-Anilino-9,10-dioxo-2-anthroic acidanthracenes
erythritolbutane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite
2-carbazol-9-ylbenzoic acidcarbazoles
N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
adrenosteroneadrenosterone : A 3-oxo Delta(4)-steroid that is androst-4-ene carrying three oxo-substituents at positions 3, 11 and 17.11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid
androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite
nsc13345NSC13345: structure in first sourceamidobenzoic acid
acetoxycycloheximideacetoxycycloheximide: structure
2-pyridin-4-yl-1,3-benzothiazolebenzothiazoles
1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source
lanosterol14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid
bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
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
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
nsc-126771dichloroallyl lawsone: structure
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
brusatol
4-methoxyxanthone4-methoxyxanthone: a vasodilator; structure in first source
2-(2-oxolanylmethyl)benzo[de]isoquinoline-1,3-dioneisoquinolines
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
a-130a
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
marmesinmarmesin: RN given refers to (S)-isomer; nodakenetin is the (R)-isomermarmesin
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
latifolinlatifolin: structure in first source
2-guanidine-4-methylquinazoline2-guanidine-4-methylquinazoline: structure given in first source
2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source
nsc 680410NSC 680410: a bcr/abl kinase inhibitor; structure in first source
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
nexavarorganosulfonate salt
1-methoxy-10H-acridin-9-oneacridines
9-deazaadenosine
glyceraldehyde 3-phosphateglyceraldehyde 3-phosphate : An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms.

Glyceraldehyde 3-Phosphate: An aldotriose which is an important intermediate in glycolysis and in tryptophan biosynthesis.
glyceraldehyde 3-phosphatemouse 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
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
beta-chloro-l-alanine3-chloro-L-alanine : A 3-chloroalanine that has R configutation at the chiral centre.3-chloroalanine;
amino acid zwitterion;
L-alanine derivative
mimosineL-mimosine : An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica.4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
arbutinhydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.beta-D-glucoside;
monosaccharide derivative
Escherichia coli metabolite;
plant metabolite
pentazocinePentazocine: The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)benzazocine
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
miglitolpiperidines
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
decursindecursin: activates protein kinase C; isolated from the root of Angelica gigas; RN given for (S)-isomer; structure in first sourcecoumarins
decursinoldecursinol : An organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7).cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol
analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
naringin(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside
anti-inflammatory agent;
antineoplastic agent;
metabolite
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
eugeniineugeniin : An ellagitannin isolated from the dried flower buds of Eugenia caryophyllata. It exhibits alpha-glucosidase inhibitory activity and antiviral activity against acyclovir and phosphonoacetic acid (PAA)-resistant herpes simplex virus type 1 (HSV-1) as well as the wild-type HSV-1.

eugeniin: structure in first source
beta-D-glucoside;
ellagitannin;
gallate ester;
lactone
anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
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
L-isoprenalineL-isoprenaline : An optically active phenylethanolamine compound having an isopropyl substituent attached to the nitrogen atom.catecholamine;
phenylethanolamines
beta-adrenergic agonist;
sympathomimetic agent
actinoninactinonin: natural hydroxamic acid, pseudopeptide antibiotic isolated from Streptomyces species; structure
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
doxorubicin hydrochlorideanthracycline
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
ao 128AO 128: alpha-glucosidase inhibitor; structure given in first sourceorganic molecular entity
darifenacindarifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence.1-benzofurans;
monocarboxylic acid amide;
pyrrolidines
antispasmodic drug;
muscarinic antagonist
roxithromycinerythromycin derivative;
macrolide;
semisynthetic derivative
antibacterial drug
acarboseamino cyclitol;
glycoside
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
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
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
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
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
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
1,4-dideoxy-1,4-iminoarabinitol, (2r-(2alpha,3beta,4beta))-isomerpyrrolidines
bana 113
sc 58272SC 58272: inhibits myristoyl-CoA:protein N-myristoyltransferase; structure given in first source
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
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
om00-3OM00-3: second-generation 8-residue memapsin 2 inhibitor; structure in first source
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
formycinformycinantineoplastic agent
isofagominepiperidines
pd 166326PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor
t0901317T0901317: an LXRalpha and LXRbeta agonist
h 1152(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.isoquinolines;
N-sulfonyldiazepane
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
adenosine-5'-(n-ethylcarboxamide)Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.

N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.
adenosines;
monocarboxylic acid amide
adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
mln 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
cgp 38560a
prostaglandin d2prostaglandin D2 : A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer).

Prostaglandin D2: The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.
prostaglandins Dhuman metabolite;
mouse metabolite
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
7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine
purvalanol bpurvalanol B: protein kinase inhibitor; structure in first sourcepurvalanolprotein kinase inhibitor
argadinargadin: a chitinase inhibitor, produced by Clonostachys sp. FO-7314; structure in first source
argifinargifin: possible lead insecticide; isolated from Gliocladium; 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
heracleninheraclenin: from Chlamydomonas reinhardii; structure given in first source; RN given refers to (R)-isomer
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
1-deaza-2-chloro-n(6)-cyclopentyladenosine1-deaza-2-chloro-N(6)-cyclopentyladenosine: adenosine A(1) receptor agonist
krh 1636KRH 1636: structure in first source
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
glabreneglabrene: structure in first sourceisoflavonoid
glyasperin Dglyasperin D : A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis.aromatic ether;
hydroxyisoflavans;
methoxyisoflavan
plant metabolite
amd 8664
4-(2-oxazolo[4,5-b]pyridinyl)aniline1,3-oxazoles
mg 262MG 262: a proteasome inhibitor
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
8-isopentenylnaringenin8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first sourceflavanones
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
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
6-hydroxyindole6-hydroxyindole: structure in first source
2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl esterheteroarene
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first sourcearomatic ether
lomatinlomatin: isolated from Lomatium nutalli and various Umbelliferae; structure in first sourcecoumarins
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazoliminedimethoxybenzene
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-onebenzodiazepine
5-(4-nitrophenyl)-4-phenyl-2-thiazolamineC-nitro compound
idarubicin hydrochlorideanthracycline
pirarubicin hydrochlorideanthracycline
niflumic acidstrictifolione: structure in first source
hirsutanonehirsutanone: from methanolic extract of the aerial parts of Viscum cruciatum (Viscaceae)diarylheptanoid
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
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
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
xanthoangelolxanthoangelol: from Angelica keiskei; structure given in first source; RN given refers to (E,E)-isomer
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
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
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanolbenzimidazoles
9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxidebenzothiazine
5-hydroxy-N,N-dimethyl-2-phenyl-3-benzofurancarboxamidebenzofurans
N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamideanilide
2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-oneheteroarene
N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamideaminoquinoline
N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamideanilide
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-methyl-2-thiazolyl)acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrilebenzenes
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamideanilide
N-cyclopropyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamidesulfonamide
1-(4-chlorophenyl)-N-(2-furanylmethyl)-N-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]methanaminearomatic amine
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamidepiperazines
2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamidequinazolines
N,N-diethyl-2-[(3-thiophen-2-yl-7-isothiazolo[4,5-d]pyrimidinyl)thio]acetamidearyl sulfide
1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazinepiperazines
1-[(1-cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazinepiperazines
bucillamineorganic molecular entity
omapatrilatomapatrilat: structure in first sourcedipeptide
cefsulodin sodiumorganic molecular entity
iaa 94indanones
N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamidesulfonamide
fludarabinepurine nucleoside
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
methamilane methiodide
6-ethyl-6-methyl-5,8-dihydro-1H-thiopyrano[2,3]thieno[2,4-b]pyrimidine-2,4-dioneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamidearomatic amide
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2,2-bis(trifluoromethyl)butanamidearomatic amide
5-bromo-3-ethyl-1H-indole-2-carboxylic acidindolyl carboxylic acid
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamideanilide
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanoldichlorobenzene
1-(2,1,3-benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanonebenzoxadiazole
1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamidepyrrolidines
N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl esterdichlorobenzene
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
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.
ag-213tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells;
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thionearomatic ether
N-(4-acetylphenyl)-2-thiophen-2-ylacetamidearomatic ketone
3,4-methylenedioxy-beta-nitrostyrene3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source
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
(e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide: a vanilloid receptor 1 antagonist and antihyperalgesic agent; structure in first source
sch-202676SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source
4-methoxy-N-(3-pyridinylmethyl)benzamidebenzamides
(S)-(-)-pindololpindolol
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
ritodrine(1S,2R)-ritodrine : A 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol that has (1S,2R)-configuration.4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-oneether;
flavonoids
6,2',4'-trimethoxyflavone6,2',4'-trimethoxyflavone: structure in first source
caffeic acidtrans-caffeic acid : The trans-isomer of caffeic acid.caffeic acidgeroprotector;
mouse metabolite
3-(4-methylbenzoyl)acrylic acidcarbonyl compound
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diaminearalkylamine
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamidearomatic amide
n-phenyl-n'-2-pyridylthioureaN-phenyl-N'-2-pyridylthiourea: structure in first source
4-chloro-1-methyl-3-nitro-2-quinolinonenitro compound;
quinolines
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrilebenzenes;
nitrile
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazoliminemethoxybenzenes;
substituted aniline
10-methyl-3-phenothiazinaminephenothiazines
vu0038882VU0038882: structure in first source
2-(thiophen-2-ylmethylidene)indene-1,3-dionecyclic ketone;
indanones
N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-furancarboxamidearomatic amide;
heteroarene
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl esteraromatic amine;
thiophenes
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-(1-piperidinylmethyl)phenol2-(1-piperidinylmethyl)phenol: structure in first source
1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ureaureas
2-[[3-[(2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenolaralkylamine
2,4,6-trimethyl-n-(meta-3-trifluoromethylphenyl)benzenesulfonamide2,4,6-trimethyl-N-(meta-3-trifluoromethylphenyl)benzenesulfonamide: stimulates phospholipase C; structure in first sourcesulfonamide
2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanonearomatic ketoneanticoronaviral agent
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamidenaphthalenecarboxamide
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-onearomatic compound
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamidebenzamides
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazolearomatic ether
4-chloro-1-ethyl-3-nitro-2-quinolinonenitro compound;
quinolines
3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazolenaphthalenes;
sulfonic acid derivative
5-(4-chlorophenyl)-2-furanpropionic acid5-(4-chlorophenyl)-2-furanpropionic acid: related to orpanoxin; structure given in first source
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamideisoquinolines
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) estertoluenes
cnidilincnidilin: from roots of Angelica pubescens Maxim. f. biserrata Shan et Yuan; structure in first sourcepsoralens
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-onepyrazoles;
ring assembly
N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-iminebenzothiazoles
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamidesulfonamide
5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) esterpyrazoles;
ring assembly
isoeugenoltrans-isoeugenol : The trans-stereoisomer of isoeugenol.isoeugenolplant metabolite
6-amino-2-mercaptobenzothiazole
n-phenyl-n'-3-hydroxyphenylthiourea
5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-1-benzopyran-2-onecoumarins
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamidethioureas
2-(2-phenylethylthio)-3-pyridinecarboxylic acidaromatic carboxylic acid;
pyridines
4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thionebenzenes
7,8-dichloropyrido[1,2-a]benzimidazolepyridobenzimidazole
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamidearomatic ether
thiothixeneN-methylpiperazineanticoronaviral agent
curcumincurcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.

Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol
anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
4-(2-naphthalenyloxymethyl)-2-thiazolaminenaphthalenes
1-(4-bromophenyl)-3-(2-fluorophenyl)thioureathioureas
1-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)thioureathioureas
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamidesulfonamide
2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamideimidazoles
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-[[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
5,7-dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acidbenzofurans
N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamidesulfonamide
2-[[[3-[2-(4-methylphenyl)sulfonylethylthio]phenyl]-oxomethyl]amino]benzoic acidbenzamides
3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamidebenzothiazoles
2-[2-oxo-2-(2,2,4,6-tetramethyl-1-quinolinyl)ethyl]isoindole-1,3-dionequinolines
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
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
n-(1,3-benzothiazol-2-yl)-n-(4,5-dihydro-1h-imidazol-2-yl)amineN-(1,3-benzothiazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine: structure in first source
N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazidecarbohydrazide;
pyrazines
2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl esteraromatic carboxylic acid;
thiazoles
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamidearomatic amide
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamidearomatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamidearomatic ether
darunavir ethanolatephenothiazines
1-(4-bromophenyl)-3-(3-methylbutyl)thioureathioureas
N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamidebenzimidazoles
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamidearyl sulfide
2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazolebenzothiazoles
2-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzonitrilebenzimidazoles
8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-iminequinolines
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamidequinazolines
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamidearomatic amide;
furans
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimineorganochlorine compound
4-[(2-chloro-5-thiazolyl)methylthio]benzoic acidsulfanylbenzoic acid
N,N-dimethylcarbamic acid [4-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]-2,6-dimethylphenyl] esteraromatic ketone
(4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
6-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-onebenzothiazoles
2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanonearomatic ketone
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
enclomipheneEnclomiphene: The trans or (E)-isomer of clomiphene.
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
n-(fluorenyl-9-methoxycarbonyl)leucineN-(fluorenyl-9-methoxycarbonyl)leucine: a leumedin; RN given for (L)-isomer
auraptenaurapten: RN refers to (E)-isomer; structure given in first source

auraptene : A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties.
coumarins;
monoterpenoid
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
n-glycylalanineGly-Ala : A dipeptide formed from glycine and L-alanine residues.dipeptidemetabolite
4-methyl-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamidebenzoic acids
5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl esteraromatic amide;
thiophenes
N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidemethoxybenzenes
N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamidebenzoic acids
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
3-(3-hydroxypropylamino)-7-methyl-1-(pentylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrilearomatic ketone
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylanilinearomatic ether
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazolearomatic ether
N-(4,5-diphenyl-2-oxazolyl)-3-methoxybenzamide1,3-oxazoles
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-aminepyrimido-indole
3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzotriazoles;
triazolothiadiazole
2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-onearyl sulfide
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamidesulfonamide
2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanoldialkylarylamine;
tertiary amino compound
N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamidepyrazoles;
ring assembly
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamidearomatic ether
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-3-pyrazolecarboxamidepyrazoles;
ring assembly
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamidepyrazoles;
ring assembly
2-methyl-3-[oxo(thiophen-2-yl)methyl]-1-indolizinecarboxaldehydeindolizines
6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-onebenzoxazine
N-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamidequinolines
4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamidesulfonamide
1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thioureaindoles
thiocyanic acid [2-(1-naphthalenyl)-2-oxoethyl] esternaphthalenes
mcb-613cyclic ketone;
enone;
pyridines
antineoplastic agent;
steroid receptor coactivator stimulator
4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamidesulfonamide
3-chloro-N-[3-(4-morpholinyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide1-benzothiophenes
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamidedibenzofurans
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamidesulfonamide
N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,2-dimethylpropanamidecarbonyl compound;
organohalogen compound
1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanonequinolines
4-methyl-N-(2-phenylphenyl)-3-(phenylsulfamoyl)benzamidebenzamides
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acidbenzamides
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trionearomatic ether;
C-nitro compound
N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamidefatty amide
N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-phenyl-4-quinolinecarboxamidequinolines
2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolaminearyl sulfide
7-methyl-3-(phenylhydrazo)-1,5-benzodiazepin-2-onephenylhydrazines
3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamidepyrazoles;
ring assembly
2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-onesulfonamide
4-(4-chlorophenyl)-4-oxobutanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] esteraromatic ketone
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamidearyl sulfide
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamidebenzamides
2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanonearomatic ketone
2-pyridin-4-yl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamidearomatic amide
2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamidesulfonamide
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamidequinolines
N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamidepyrazines;
secondary carboxamide
2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]acetamidearyl sulfide
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl estersecondary carboxamide
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamidearomatic amide;
thiophenes
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanonepiperazines
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamidequinoxaline derivative
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamidequinazolines
3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] esterindolyl carboxylic acid
7-[(4-acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinonearomatic ketone
2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamidetriazoles
5-chloro-2-mercaptobenzothiazole
benzoylarginine nitroanilide
glycylvalineglycylvaline: RN given refers to (DL)-isomerdipeptidehuman metabolite
5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrilesubstituted aniline
mecysteine hydrochloridealpha-amino acid ester
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
Betaine Aldehyde Chloridequaternary ammonium salt
2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acidbenzenes
N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazidecarbonyl compound;
organohalogen compound
4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine : A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively.aminopyrimidine;
isoxazoles
N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamideanilide
3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thionedichlorobenzene
stattic1-benzothiophenes;
C-nitro compound;
sulfone
antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor
6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine: inhibitor of SARS-CoV main protease; structure in first sourcesulfonic acid derivativeanticoronaviral agent
3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridinepyridines;
pyrrolidines
N'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide(trifluoromethyl)benzenes
N'-(4-tert-butyl-2-thiazolyl)-4-chlorobenzohydrazidecarbonyl compound;
organohalogen compound
6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl esterureas
2-[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl esteraromatic amide;
furans
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioateacetylenic compound;
furans;
organofluorine compound;
thioester;
triazoles
2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] estermonoterpenoid
2-(4-pentylphenyl)acetic acidbenzenes
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dionepyrrolidines
1-hexadecyl-3-methylimidazolium bromide1-hexadecyl-3-methylimidazolium bromide: structure in first source
1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dionepyrrolidines
nemadipine-anemadipine-A : A dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying.

nemadipine-A: structure in first source
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
pentafluorobenzenes
calcium channel blocker
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl esterpyrazoles;
ring assembly
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrilepyrrolidines
4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl esteramidobenzoic acid
1-[8-chloro-4-(1-naphthalenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]ethanonequinolines
trisindolinetrisindoline: an antibiotic indole trimer, produced by Vibrio separated from the marine sponge Hyrtios altum; structure given in first source
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dioneisoquinolines
N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamidebenzimidazoles
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamidesulfonamide
5-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoic acidthiophenecarboxylic acid
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide1-benzothiophenes
2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acidpyrrolidines
4-[hydroxy(diphenyl)methyl]-N-(2-phenylethyl)-1-piperidinecarbothioamidediarylmethane
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acidbenzamides
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamidebenzamides
4-[[2-(4-ethyl-3-oxo-2-morpholinyl)-1-oxoethyl]amino]benzoic acid ethyl esteramidobenzoic acid
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamidediarylmethane
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxidearomatic ether
5-chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinolorganochlorine compound;
quinolines
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamidearomatic amide;
thiophenes
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanonebenzoic acids
4-[[3-[(4-chlorophenyl)sulfonylamino]-2-quinoxalinyl]amino]-1-piperidinecarboxylic acid ethyl esterquinoxaline derivative
1-(4-methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazinepiperazines
cb 7969312organochlorine compound;
quinolines
N-(3-cyano-2-thiophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamidearomatic amide
1-(2-methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazoletetrazoles
3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] esterpiperazines
2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrilequinazolines
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dionepyrroles
2-acetylpyridine-(4-phenylthiosemicarbazone)2-acetylpyridine-(4-phenylthiosemicarbazone): structure given in first source
estrone sulfateestrone sulfate: sulfoconjugated estrone; RN given refers to parent cpd17-oxo steroid;
steroid sulfate
human metabolite;
mouse metabolite
Geraniintannin
maraviroctropane alkaloid
LSM-1318oxa-steroid
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
dieckoldieckol : A phlorotannin isolated from a brown alga Ecklonia cava which exhibits antioxidant, hepatoprotective and anticoagulant activities.

dieckol: found in brown Eisenia and Ecklonia algae, have several pharmacologically beneficial effects such as anti-inflammation; structure in first source
aromatic ether;
oxacycle;
phlorotannin
anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
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
4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2h)-pyridazinone4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone: RN & structure given in first source
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
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
zuclomifene citrate
idoxifeneidoxifene: structure given in first sourcestilbenoid
omephineomephine: do not confuse with omifin, synonym to clomiphene dihydrogen citrate; structure in Negwer, 5th ed, #2964
7-chloro-thiokynurenate7-chlorothiokynurenic acid: glycine site antagonist of NMDA receptor
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
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source
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
byakangelicolbyakangelicol: RN given for (R)-isomer; structure in first sourcepsoralens
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
glycyllysineGly-Lys : A dipeptide formed from glycine and L-lysine residues.

glycyllysine: RN given refers to (L)-isomer
dipeptidemetabolite
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
arformoterolarformoterol : An N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide in which both of the stereocentres have R configuration. The active enantiomer of formoterol, it is administered by inhalation (generally as the tartrate salt) as a direct-acting sympathomimetic and bronchodilator for the treatment of chronic obstructive pulmonary disease (any progressive respiratory disease that makes it harder to breathe over time, such as chronic bronchitis and emphysema).N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamideanti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent
ru 42173RU 42173: structure given in first sourcebenzazepine
N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamideorganonitrogen compound;
organooxygen compound
(3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanonecarbonyl compound;
organohalogen compound
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acidphenylpyridine
4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acidaromatic amide
N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyanilinetriazoles
3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamideC-nitro compound
2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanoldialkylarylamine;
tertiary amino compound
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamidearomatic amide;
furans
anticoronaviral agent
2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamidephenothiazines
nih-12848NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamidethiazoles
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl estercarboxylic acid;
piperidines
2-(3-phenyl-1-indazolyl)acetic acid methyl esteralpha-amino acid ester
2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acidorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
5-(4-chlorophenyl)-N-(2-furanylmethyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
7-(2,4-dichlorophenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrilepyrimidines
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-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamidetetralins
sb-224289SB 224289 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo.1,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound
serotonergic antagonist
gtp 14564pyrazoles;
ring assembly
gw 7647GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.

GW 7647: a PPAR-alpha agonist; structure in first source
aryl sulfide;
monocarboxylic acid;
ureas
PPARalpha agonist
N-[(4-methylphenyl)methyl]-4-(1-pyrrolyl)benzamidebenzamides
1-(3,4-dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]ureaureas
ro 41-0960
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamidequinolines
1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dionepyrrolidines
N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamideanilide
7-(5-bromo-2-fluorophenyl)-5-(4-bromophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidinetriazolopyrimidines
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamideC-nitro compound;
thiophenes
sb 2420846-chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline: 5-HT(2C) receptor inverse agonist (antagonist); structure in first source
2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl esteralpha-amino acid ester
3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-onering assembly;
thiophenes
2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridinepyrazoles;
ring assembly
n-(6-chloropyridin-3-yl)-4-fluorobenzamideN-(6-chloropyridin-3-yl)-4-fluorobenzamide: structure in first source
3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamideC-nitro compound
N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamidebenzamides
1-(4-chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]ureaureas
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-onebenzimidazoles
1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thioureaphenylhydrazines
3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dionepiperazines;
pyrimido-indole
1-(3,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)phenyl]thioureathioureas
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazolebenzimidazoles
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamidecarbonyl compound;
organohalogen compound
(3-chlorophenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1h)-yl)methanone(3-chlorophenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone: a positive modulator of GluN2C/GluN2D subunit-selective NMDA receptor
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
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamidesulfonamide
N-[4-[(1,2-dimethyl-5-indolyl)methylsulfamoyl]phenyl]acetamidesulfonamide
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
2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamidetetralins
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzodioxine;
triazolothiadiazole
4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimineorganochlorine compound
LSM-16446pyridopyrimidine
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
4-hydroxy-5-methyl-3(2h)-furanone4-hydroxy-5-methyl-3-furanone : A member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3.cyclic ketone;
enol;
furans
metabolite
2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamidetetralins
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] esterC-nitro compound;
thiophenes
tcn 201
1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]ureaureas
3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-(5-methyl-2-thiazolyl)benzamidesulfonamide
2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamidebenzoic acids
5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]oneorganonitrogen compound;
organooxygen compound
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
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)ureaureas
N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidenaphthalenes
LSM-4833quinolines
N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamidearomatic amideanticoronaviral agent
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
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamidesulfonamide
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
2-[(1-methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanonepiperazines
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamidedichlorobenzene
4,5,6,7-tetrabromobenzimidazole4,5,6,7-tetrabromobenzimidazole: structure in first source
4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl esterbenzoate ester
sib 1757SIB 1757: a selective mGluR5 antagonist; structure in first source
dibutyl maleate
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
cyclo(d-tyrosyl-arginyl-arginyl-3-(2-naphthyl)alanyl-glycyl)oligopeptide
gallocatechin-3-gallate(+)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin.

gallocatechin gallate: structure in first source
catechin;
gallate ester;
polyphenol
plant metabolite
ku 559332-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one: specific inhibitor of the ataxia-telangiectasia mutated kinase ATM; structure in first source
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
biochanin a4'-methoxyisoflavones;
7-hydroxyisoflavones
antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase 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
apigetrinapigenin 7-O-beta-D-glucoside : A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

apigetrin: structure given in first source
beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative
antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
alprostadilprostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
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
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
harmineharmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.

Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
montelukastmontelukast: a leukotriene D4 receptor antagonistaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
buteinchalcones;
polyphenol
antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
hispidolhispidol : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 6 and 4' respectively.hydroxyauroneplant 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
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
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
genkwaningenkwanin : A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated.

genkwanin: structure
dihydroxyflavone;
monomethoxyflavone
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
euxanthoneeuxanthone : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense.phenols;
xanthones
metabolite;
plant metabolite
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
norathyriolnorathyriol : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C.

norathyriol: from Gentinanaceae; has vasorelaxing action on rat thoracic aorta; structure given in first source
polyphenol;
xanthones
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
norlichexanthonenorlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus.

norlichexanthone: isolated from fungus P16; structure in first source
polyphenol;
xanthones
antimalarial;
fungal metabolite
morinmorin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.

morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria)
7-hydroxyflavonol;
pentahydroxyflavone
angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
morusinmorusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8.

morusin: from Morus root bark; structure given in first source
extended flavonoid;
trihydroxyflavone
antineoplastic agent;
plant metabolite
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
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
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
daidzein7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
trans-2,3',4,5'-tetrahydroxystilbenetrans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrolstilbenoid
Pinosylvin methyl etherstilbenoid
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
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
Licarin Abenzofurans
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
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
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
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
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
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
dothiepin hydrochlorideDothiepin: A tricyclic antidepressant with some tranquilizing action.dothiepin
thromboxane b2thromboxane B2 : A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.

Thromboxane B2: A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin).
thromboxanes Bhuman metabolite;
mouse metabolite
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
camostat mesylatemethanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
perhexiline maleate
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
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
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
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
n-acetylglucosamine thiazolineN-acetylglucosamine thiazoline: an analog of the oxazolinium bicyclic intermediate leading from N-acetylglucosamine to 1,6-anhydro-N-acetylmuramic acid
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
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide1,3-oxazoles
N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamidearomatic amide;
heteroarene
3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one4'-methoxyisoflavones
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrilearomatic ether
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinaminebenzodioxoles
2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamidearomatic amide;
thiophenes
esomeprazole magnesiumbenzimidazoles;
sulfoxide
pd 180970PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source
n-acetyltyrosyl-valyl-alanyl-aspartyl aldehyde
benzyloxycarbonyl-phe-ala-fluormethylketonecathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).
l 7458703-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first sourcepiperazines
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
mdl 100907Serotonin 5-HT2 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.
cgp 77675CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source
pd 166285
(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
cl 316243disodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)-amino)propyl)-1,3-benzodioxole-2,3-dicarboxylate: structure given in first source
silodosinsilodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first sourceindolecarboxamide
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.
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
bornyl ferulatebornyl ferulate: structure in first sourcehydroxycinnamic acid
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
crenulatin coumarin
7-demethylsuberosin7-demethylsuberosin : A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata.

7-demethylsuberosin: fucocoumarin derivative of Angelicae dahuricae
hydroxycoumarinplant metabolite
linarinlinarin: flavone glycoside isolated from leaves of Linaria japonica MIQ
8-geranyloxypsoralenterpene lactone
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
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-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
muromonab-cd3cudraflavone B : An extended flavonoid that consists of a pyranochromane skeleton that is 2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, a 2,4-dihydroxyphenyl group at position 8, a hydroxy group at position 5 and a prenyl group at position 7. Isolated from Morus alba and Morus species it exhibits anti-inflammatory activity.

cudraflavone B: antiproliferative from Cudrania tricuspidata
extended flavonoid;
pyranochromane;
trihydroxyflavone
anti-inflammatory agent;
plant metabolite
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
podocarpusflavone apodocarpusflavone A: isolated from Podocarpus imbricatusflavonoid oligomer
tilirosidetiliroside: isolated from seeds of Eremocarpus setigeruscinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
plant metabolite
tilianintilianin: from several medicinal plants including Agastache rugosa and Dracocephalum moldavia
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
granulatimidegranulatimide: minor alkaloids of the Brazilian ascidian Didemnum; structure in first source
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
tyrphostin b44tyrphostin B44: inhibits protein kinases; an analog of tyrphostin B46; B44(+) is B50, and is the stereoisomer of B44(-)
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
m475271AZM475271: a Src family kinase inhibitor
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
fosbretabulinstilbenoid
4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranosideglycoside;
lignan
guttiferone aguttiferone A: antibacterial from Clusiaceae family; structure in first source
4-amylcinnamoylanthranilic acid4-amylcinnamoylanthranilic acid: phospholipase A2 inhibitor

N-(p-amylcinnamoyl)anthranilic acid : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 4-pentylcinnamoyl group. It is a transient receptor potential (TRP) channel blocker and phospholipase A2 (PLA2) inhibitor.
amidobenzoic acid;
cinnamamides;
secondary carboxamide
EC 3.1.1.4 (phospholipase A2) inhibitor;
TRP channel blocker
bay 11-7082(E)-3-tosylacrylonitrile : A nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells.nitrile;
sulfone
apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
bay 11-7085BAY11-7085 : 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
2,4,3',5'-tetramethoxystilbene2,4,3',5'-tetramethoxystilbene: potent inhibitor of human cytochrome P450 1B1; an antihypertensive agent; structure in first source
7,8-dihydroxy-4-methylcoumarin7,8-dihydroxy-4-methylcoumarin: possess strong antioxidant and radical scavenging activities; structure in first sourcehydroxycoumarin
levorphanolLevorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection.morphinane alkaloid
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
dextrorphanDextrorphan: Dextro form of levorphanol. It acts as a noncompetitive NMDA receptor antagonist, among other effects, and has been proposed as a neuroprotective agent. It is also a metabolite of DEXTROMETHORPHAN.morphinane alkaloid
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
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
2-Phenylethyl 3-phenyl-2-propenoatecinnamate ester
grifolingrifolin: antibiotic isolated from Grifola confluenssesquiterpenoid
1-hydroxyxanthone1-hydroxyxanthone: structure in first source
2-(4-(dimethylamino)styryl)benzothiazole2-(4-(dimethylamino)styryl)benzothiazole: structure in first source
11-hydroxynoracronycine11-hydroxynoracronycine: analog of acronycine from wood of Atalantia ceylanica; structureacridinesmetabolite
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
serratinserratin: isolated from the essential oil of Clerodendron serratum; structure in first sourceneoflavonoid
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
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
ditekirenditekiren: orally active renin 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
bergamottinbergamottin: constituent of bergamot oil; structure given in first sourcefuranocoumarinmetabolite
artepillin cartepillin C: RN refers to (E)-isomer
pepstatinpepstatin: inhibits the aspartic protease endothiapepsinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
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
norbinaltorphiminenorbinaltorphimine: kappa opiate receptor antagonist; structure given in first sourceisoquinolines
morusinolmorusinol: extracted from Morus alba inhibits arterial thrombosis and modulates platelet activation for the treatment of cardiovascular disease; structure in first sourceflavones
Norartocarpetinflavones
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
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
licostinellicostinel: a glycine site NMDA receptor antagonist; structure given in first source
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.
citrusinine icitrusinine I: acridone alkaloid isolated from Rutaceaeacridines
alvimopan anhydrousalvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for painpeptide
w-13
n(alpha)-phosphorylalanylprolineN(alpha)-phosphorylalanylproline: inhibitor of angiotensin converting enzyme; RN given refers to (L)-isomer
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
aliskirenaliskiren : A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position.

aliskiren: orally active nonpeptidic renin inhibitor
monocarboxylic acid amide;
monomethoxybenzene
antihypertensive agent
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively.

2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor
organic heterotetracyclic compound;
organofluorine compound
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
vx680N-arylpiperazine
beta-Mangostinxanthones
9-Hydroxycalabaxanthonexanthones
alanyltyrosineTyr-Ala : A dipeptide formed from L-tyrosine and L-alanine residues.dipeptidemetabolite
3-(dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl esterhydroxycoumarin
guanabenz acetatedichlorobenzenegeroprotector
phentolamine
methylbenzethonium chloridealkylbenzene
quinaldine redquinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure
3,3'-diethylthiacarbocyanine iodidebenzothiazoles;
cyanine dye
fluorochrome
chloride of pseudoisocyanine1,1'-diethyl-2,2'-cyanine halide;
organic chloride salt
5233705 compound
3,4-dihydroxy-xanthone3,4-dihydroxy-xanthone: structure given in first source
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-onepyridochromene
2,4,2'-trihydroxychalcone2,4,2'-trihydroxychalcone: structure in first source
4-hydroxylonchocarpin4-hydroxylonchocarpin: structure in first source
benzyl caffeatebenzyl caffeate: isolated from Liaoxi propolis
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
uk 81,252sampatrilat: structure in first source
palonosetronpalonosetron : An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.

Palonosetron: Isoquinoline and quinuclidine derivative that acts as a 5-HT3 RECEPTOR antagonist. It is used in the prevention of nausea and vomiting induced by cytotoxic chemotherapy, and for the prevention of post-operative nausea and vomiting.
azabicycloalkane;
delta-lactam;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source
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
Adenosine 5'-monophosphate monohydratepurine ribonucleoside monophosphate
enclomiphene citrate
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
sclerotiorinsclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first sourceazaphilone
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
4-hydroxyderricin4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first sourcechalcones
broussochalcone abroussochalcone A: RN given for (E)-isomer; inhibits neutrophil respiratory burst; structure in first source
rupintrivirrupintrivir: a rhinovirus 3C protease inhibitor
drupaninDrupanin: anti-oxidant and anti-cancer; structure in first source
caftaric acidhydroxycinnamic acid
phxa 85PhXa 85: RN given for (1R-(1alpha(Z),2beta(R*),3alpha,5alpha))-isomerhydroxy monocarboxylic acid;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
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
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
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.
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.
hylin
a 419259
cgp 12177a
b 43RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
dihydrexidinephenanthridines
gw2974GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2pyridopyrimidine
7-hydroxy-2-n,n-dipropylaminotetralin, (r)-isomer
l-1650414-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function.aromatic ketone
cycloheximidepiperidones
ici 215001ICI 215001: active metabolite of ICI D7114; no other info avail 9/92monocarboxylic acid
6-cyano-4-(n-ethylsulfonyl-n-methylamino)-3-hydroxy-2,2-dimethylchromane, (trans-(+))-isomer
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
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-quinazolinaminequinazolines
ca 074 methyl ester
cgp 533534,5-bis(4-fluoroanilino)phthalimide: structure in first sourcephthalimides
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
granisetron hydrochloridearomatic amide;
indazoles
vorozolevorozole: structure given in first source; vorozole/R 83842 is ((+)/dextro-isomer), RN 129731-10-8; R 83839 ((-)/levo-isomer)benzotriazoles
edelfosine(R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine.1-octadecyl-2-methylglycero-3-phosphocholine
eaa-090EAA-090: a potent N-methyl-D-aspartate antagonist; structure in first sourcedialkylarylamine;
tertiary amino compound
temsirolimusmacrolide lactam
estradiol-3-o-sulfamate
pd 174494PD 174494: structure in first sourcepiperidines
nps2143
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
altenusinaltenusin : A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria and several other fungal species.

altenusin: structure given in first source
aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol
antifungal agent;
fungal metabolite
lu 208075ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertensiondiarylmethane
indacaterolindacaterol : A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease.

indacaterol: a beta2 adrenoceptor agonist; indacaterol is the (R)-isomer; structure in first source
indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent
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
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
kmi-420KMI-420: a protease inhibitor; structure in first source
kmi-429KMI-429: a protease inhibitor; structure in first source
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
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
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
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-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamidetriazolopyrimidines
N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamidearomatic amide
5-Chloro-3-pyridinyl 2-furoatecarboxylic esteranticoronaviral agent
isoleucyl-tyrosineIle-Tyr : A dipeptide formed from L-isoleucine and L-tyrosine residues.

isoleucyl-tyrosine: a dipeptide with antihypertensive effect
dipeptidemetabolite
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
N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamidearomatic amide
5-chloro-N-[4-(2-thiazolo[5,4-b]pyridinyl)phenyl]-2-thiophenesulfonamidesulfonamide
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
aldicarb sulfoxidealdicarb sulfoxide: metabolite of aldicarb
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
fosinopril
fpl 15896ar
3-((2-methyl-1,3-thiazol-4-yl)ethynyl)piperidine3-((2-methyl-1,3-thiazol-4-yl)ethynyl)piperidine: an excitatory amino acid antagonist
jnj 10198409
(4-benzylpiperidin-1-yl)-(6-hydroxy-1h-indol-2-yl)methanone(4-benzylpiperidin-1-yl)-(6-hydroxy-1H-indol-2-yl)methanone: an NR2B-subunit selective antagonist; structure in first source
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
av 412
telatinib
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
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
bms3455414(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first sourcequinoxaline derivative
pd 144418
ca 074
n-(5-adamantane-1-yl-methoxy-pentyl)deoxynojirimycin
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
17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan
gw843682x(trifluoromethyl)benzenes
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
k11002
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
l 755507L 755507: a benzenesulfonamide derivative; structure in first source
prolylvalineVal-Pro : A dipeptide formed from L-valine and L-proline residues.dipeptidemetabolite
tqx 173
brl 37344BRL 37344: SB 206606 is the (R,R)-isomermonocarboxylic acid
2-meoemate
a-705253A-705253: structure in first source
px-866PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine.

PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source
acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
apigenin-7-o-rutinoside
ym 26734YM 26734: inhibits group II phospholipase A2; structure given in first source
ogt2378sinbaglustat: an antineopl agent; structure in first source
4-methylcoumarin 7-o-sulfamate
nu 70262-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first sourceorganic heterotricyclic compound;
organooxygen compound
morachalcone amorachalcone A: tyrosinase inhibitor from the wood of Artocarpus heterophyllus; structure in first sourcechalcones
cgs 35066CGS 35066: an endothelin-converting enzyme-1 inhibitor; structure in first source
ripasudilisoquinolines
17-hydroxywortmannin17-hydroxywortmannin: inhibits secretion of human neutrophils
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
(1rs,1's)-peaqx
cgp 74588CGP 74588: a metabolite of STI-571; structure in first sourcebenzamides
ki 20227
gw 9578GW 9578: a peroxisome proliferator-activated receptor alpha agonist; structure in first source
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
t 1032T 1032: a cyclic GMP phosphodiesterase-5 inhibitor; structure in first source
cp 7247142-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
zotarolimuszotarolimus: synthetic analog of rapamycin; structure in first sourcelactam;
macrolide
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
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
sja 6017N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal: structure in first source
solabegronsolabegron : A carboxybiphenyl that is [biphenyl]-3-carboxylic acid carrying a (2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)nitrilo group at the 3' position. A selective beta3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome.

solabegron: GW-427353 is the (R)-isomer;
carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline
beta-adrenergic agonist
hmr 1556HMR 1556: an I(Ks) channel blocker; structure in first source
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
ct52923CT52923: structure in first source
nnc 26-9100NNC 26-9100: structure in first sourceaminopyridine
kni 10006
PI3-Kinase alpha Inhibitor 2organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
ica 27243N-(6-Chloropyridin-3-yl)-3,4-difluorobenzamide: a KCNQ2/3 channel activator; structure in first source
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
indoxamindoxam: structure in first source
kw 2581KW 2581: structure in first source
l 006235
l-873724L-873724: a selective inhibitor of cathepsin K; structure in first source
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
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
memoquinmemoquin: structure in first source
tofacitinibtofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
cediranibaromatic ether
tae226TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first sourcemorpholines
ap23464AP23464: a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2h)-isoquinolinone
chir 99021CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively.

Chir 99021: structure in first source
aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound
EC 2.7.11.26 (tau-protein kinase) inhibitor
NNC 55-0396 (free base)benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
trantinteroltrantinterol: beta(2)-adrenoceptor agonist, structure in first source
3,4,5,6-tetrahydroxyxanthone
sm360320SM360320: Proc Natl Acad Sci U S A 2006 Feb 7;103(6):1828-33
l 748,337L 748,337: a huamn beta3-adrenergic receptor antagonist; structure in first source
cnidicincnidicin: a coumarin from the root of Angelica koreana; structure in first source
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
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
8-azanebularine8-azanebularine: structure in first source
2,4,2',4'-Tetrahydroxychalconechalcones
pazopanibpazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.

pazopanib: a protein kinase inhibitor
aminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
azd 6244AZD 6244: a MEK inhibitorbenzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
levodopa methyl ester hydrochloride
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
odanacatibodanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
cl 075
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
balicatibbalicatib: cathepsin K inhibitor
sargahydroquinoic acidsargahydroquinoic acid: vasodilatator from the brown alga Sargassum macrocarpum; structure in first source
77-lh-28-177-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source
s-benzyl phenylmethanethiosulfinateS-benzyl phenylmethanethiosulfinate: an antioxidant; structure in first source
teferinteferin: isolated from Ferula hermonis; structure in first source
binimetinibbinimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib.benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
3-epi-fagomine3-epi-fagomine : A member of the class of hydroxypiperidines that is piperidine carrying a hydroxymethyl substituent at position 2 as well as two hydroxy substituents at positions 3 and 4 (the 2R,3R,4S-diastereomer).amino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol
EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite
sb-649915SB-649915: potent 5-HT1A and 5-HT1B autoreceptor antagonist and 5-HT re-uptake inhibitor
sotrastaurinsotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients.

sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source
indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines
anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent
aee 788AEE 788: structure in first source6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
saracatinibaromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
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
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
l 764646
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
batefenterolbatefenterol: a bronchodilator
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
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
n-cyclopropyl adenosine-5'-carboxamide
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
uncarine cuncarine C: stereoisomeric pentacyclic oxindole alkaloid from Uncaria tomentosa; structure in first sourceindolizines
eckstolonoleckstolonol : A phlorotannin that is [1,4]benzodioxino[2,3-a]oxanthrene substituted by hydroxy groups at positions 1, 3, 6, 9 and 11. Isolated from the brown alga Ecklonia stolonifera, it exhibits radical scavenging activity.

eckstolonol: structure in first source
organic heteropentacyclic compound;
oxacycle;
phlorotannin
metabolite;
radical scavenger
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
bms 599626
(5R)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diolbenzazepine
sargachromenolsargachromenol: nerve growth factor-potentiating substance from Sargassum macrocarpum; structure in first source
exel-7647tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties.
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
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
7-phloroeckol7-phloroeckol : A phlorotannin that is eckol in which the hydroxy group at position 7 is replaced by a 2,4,6-trihydroxyphenoxy group. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity.

7-phloroeckol: isolated from Ecklonia cava; structure in first source
aromatic ether;
phlorotannin
antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite
l 783277
3-o-methylfunicone3-O-methylfunicone: derived from Penicillium pinophilum; structure in first source
s 3304S 3304: 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
tasiamide btasiamide B: 4-amino-3-hydroxy-5-phenylpentanoic acid containing peptide from the marine cyanobacterium Symploca sp.; structure in first source
2-(4-methoxyphenyl)-1,2-benzothiazol-3-onebenzothiazoles
l-altro-1-deoxynojirimycinL-altro-1-deoxynojirimycin: structure in first source
azd 7762aromatic amide;
thiophenes
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
4-(1-phenylethyl)resorcinol4-(1-phenylethyl)resorcinol: a depigmenting agent for treatment of solar lentigines; structure in first source
calpain inhibitor iiicalpain inhibitor III: potential anticataract drug
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
degrasyndegrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source
epoxomicinmorpholines;
tripeptide
proteasome 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
procyanidin b1procyanidin B1 : A proanthocyanidin consisting of (-)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively in a beta-configuration.. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach.biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin
anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite
amd 070mavorixafor: a derivative of AMD3100; a CXCR4 blockeraminoquinoline
mp470N-arylpiperazine
rgb 286638
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
5-hydroxy-2-n,n-dipropylaminotetralin, (s)-isomer
np 031112tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy.

tideglusib: an NSAID and neuroprotective agent
benzenes;
naphthalenes;
thiadiazolidine
anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
telcagepanttelcagepant: structure in first source
nu 74418-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first sourcedibenzothiophenes
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
bms-690514
bi 2536
inno-406biaryl
nvp-ast487NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells
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
danusertibpiperazines
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
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 8931sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3.aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
arq 197indoles
azd 1152AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor;
prodrug
olodaterolaromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator 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
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
boeravinone eboeravinone E: from Boerhaavia diffusa L; structure in first source
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
carfilzomibepoxide;
morpholines;
tetrapeptide
antineoplastic agent;
proteasome inhibitor
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
vialinin avialinin A: free radical scavenger from an edible mushroom in China; structure in first source
wz 811
pf-2545920
2-ethylestradiol sulfamate2-ethyloestradiol-bis-sulfamate: structure in first source
glabrolglabrol: from Glycyrrhiza glabra hairy root; structure in first sourceflavanones
cc-930
cannabidivarincannabidivarin: from Cannabis sativamonoterpenoid
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source
tak 285N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source
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
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
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
chir-265aromatic ether
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
mln8054benzazepine
pf-562,271indoles
pha 767491PHA 767491: a Cdc7 inhibitor; structure in first sourcepyrrolopyridine
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
3-hydroxyphloretin3-hydroxyphloretin: compound from Formosan apple that reduces tyrosinase activity in human epidermal melanocytes; structure in first sourcechalcones
sesone7-deazaxanthine: structure in first source
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) esterpiperazines
N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamideorganonitrogen compound;
organooxygen compound
jnj-26483327JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010
ly2603618ureas
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolaminepyrazoles;
ring assembly
b 015
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
(2R,3S)-EHNA hydrochloride(2R,3S)-EHNA hydrochloride : A hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.hydrochlorideEC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor
4-methylpyrazole monohydrochloride
ku-0060648dibenzothiophenes
tg100801
dactolisibdactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.

dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
bgt226BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.

BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
2'-methoxykurarinone(2S)-2'-methoxykurarinone : A dimethoxyflavanone that is (2S)-(-)-kurarinone in which the hydroxy group at position 2' is replaced by a methoxy group. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity against human myeloid leukemia HL-60 cells.

2'-methoxykurarinone: cytotoxic lavandulyl flavanone from Sophora flavescens; structure in first source
4'-hydroxyflavanones;
dihydroxyflavanone;
dimethoxyflavanone
antineoplastic agent;
metabolite
1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
chlorhexidine hydrochloride
(R)-Bitalin Aacetophenones
2-(3-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
methoxydine1-(1-(4-methoxyphenyl)cyclohexyl)piperidine: a glutamate NMDA receptor ligand; 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
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
[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanonepiperazines
nvp-tae684piperidines
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
vtx-2337
amodiaquine hydrochloride
sch 725680Sch 725680: an aazaphilone from Aspergillus sp.; 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
subamolide asubamolide A: cytotoxic constituent of the stems of Cinnamomum subavenium; structure in first source
e 7050aromatic ether
feruloyldopamineferuloyldopamine: a dopamine metabolite isolated from tomatoes after infection by Pseudomonas syringae; structure in first source
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
tanninsgallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose).tannin
tn14003TN14003: synthetic antagonist 14-mer peptide inhibiting metastasis in an animal model
msh, 4-nle-7-phe-alpha-polypeptidedermatologic drug
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamidedimethoxybenzene
N-(4-acetylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamidearomatic amide
1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(3-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thioureaquinolines
N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamideorganonitrogen compound;
organooxygen compound
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxo-3-pyrrolo[3,4-d]pyridazinyl]-N-(2,3,5,6-tetrafluorophenyl)acetamideanilide
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
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
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
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-GlucopyranosideO-acyl carbohydrate
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-aminebenzenes
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine(trifluoromethyl)benzenes
thimerosalthimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.

Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.
alkylmercury compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen
pha 848125N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor
ro5126766CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3.

RO5126766: a dual MEK/RAF kinase inhibitor
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
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
ku 0063794Ku 0063794: an mTOR inhibitor; structure in first sourcebenzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
mTOR inhibitor
sp 2033-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source
3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamidequinazolines
3-(4-bromophenyl)-N-[5-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-oxomethyl]-2-methylphenyl]-1H-pyrazole-5-carboxamidebenzamides
2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl esteraromatic amide;
tert-butyl ester
nvp-bhg712benzamides
azd5438sulfonamide
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxy-isatinbenzodioxineanticoronaviral agent
pf 04217903quinolines
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
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-onearomatic ketone
berkeleydioneberkeleydione : A meroterpenoid found in Penicillium rubrum. It has been shown to exhibit inhibitory activity against caspase-1.

berkeleydione: polyketide-terpenoid metabolite, isolated from a Penicillium sp.; structure in first source
beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone
antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite
scalaradialscalaradial : A scalarane sesterterpenoid with formula C27H40O4. It is a natural product found in the marine sponges Spongia officinalis and Cacospongia mollior, and exhibits anti-inflammatory activity.

scalaradial: RN refers to the (5alpha,12alpha,17abeta)-isomer; a marine natural product isolated from the sponge Cacospongia sp.; structure given in first source
acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid
animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker
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
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
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
kx-01
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
acid blue 129
sodium 2,6-dichloroindophenolorganic molecular entity
plx 4720PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first sourcearomatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamidebenzamides
mk 5108aromatic ether
cx 4945
cudc 1017-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; 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
pf 04457845
mln 8237MLN 8237: an aurora kinase A inhibitorbenzazepine
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
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
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acidcarboxylic acid;
piperidines
pci 32765ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.

ibrutinib: a Btk protein inhibitor
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
amg 900N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
simeprevirazamacrocycle;
lactam
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
PP121aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
at13148
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
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
mk 3207
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
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamidemomelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.

N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound
anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
dcc-2036rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agentorganofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines
tyrosine kinase inhibitor
dsr-6434DSR-6434: structure in first source
neurotensinneurotensin, Tyr(11)-: RN given refers to parent cpd & (D)-isomer; RN for cpd without isomeric designation not avail 5/91peptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary
vel-0230VEL-0230: a cathepsin K antagonist
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
(5-Chloropyridin-3-yl) 1H-indole-4-carboxylateindolyl carboxylic acidanticoronaviral agent
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
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinibHM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric canceracrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline
antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties.

ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone
antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinibentrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours.

entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source
benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinibpexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT).

pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580MLN 2480: brain-penetrant RAF dimer antagonist

TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
gsk 2126458omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.

omipalisib: inhibitor of mTOR protein
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
emd1214063tepotinib: MET inhibitor
gsk 1838705aorganonitrogen compound;
organooxygen compound
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinolpiperidines
gne 477GNE 477: inhibits phosphatidylinositol 3-kinase and mTOR; structure in first source
gallinamide agallinamide A: antimalarial peptide from marine cyanobacteria
pf 3758309PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first sourceorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0980
wye 125132WYE 125132: an antineoplastic agent that inhibits mTORC1 and mTORC2ureas
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
aspernolide aaspernolide A: structure in first source
bi 201335faldaprevir: inhibits hepatitis C virus NS3 protease
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
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
4-[(1-methyl-5-tetrazolyl)thio]-5-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
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
4-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-dithiazolimineorganochlorine compound
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrileaminoquinoline
4-[3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamidesulfonamide
4-[3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamidesulfonamide
bay 869766
as 703026pyridinecarboxamide
pki 402PKI 402: also inhibits mammalian target of rapamycin; structure in first source
baricitinibazetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide
anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl esterWYE-354: an mTOR inhibitor; structure in first sourcecarbamate ester
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
e-52862
ly2811376
grassystatin agrassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
nitd 609NITD 609: an antimalarial and coccidiostat; structure in first source
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
cp 466722quinazolines
Kushenol Akushenol A: a tyrosinase inhibitor derived from Sophora flavescensflavanones
kurarinolkurarinol : A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2' and 4' , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 8 respectively.

kurarinol: from Sophora flavescens; has inhibitory effect on tyrosinase and melanin synthesis; structure in first source
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
anti-inflammatory agent;
antioxidant;
plant metabolite
an2728crisaborole : A member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults.

crisaborole: NSAID, Dermatologic Agent; structure in first source
aromatic ether;
benzoxaborole;
nitrile
antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
gardiquimod
leachianone aleachianone A : A trihydroxyflavanone that is (2S)-flavanone substituted by a lavandulyl group at position 8, hydroxy groups at positions 5, 7 and 4' and a methoxy group at position 2'. Isolated from the roots of Sophora flavescens and Sophora leachiana, it exhibits antineoplastic and antimalarial activity.

leachianone A: isolated from the Chinese herbal medicine Radix Sophorae; structure in first source
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
antimalarial;
antineoplastic agent;
metabolite
bms 694153
CAY10626ureas
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridinetriazoles
n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamidemerestinib: in phase I clinical trials (2013); structure in first source
thiopental sodiumorganochlorine compound;
piperazines;
pyrimidines
antineoplastic agent;
tyrosine kinase inhibitor
3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole: an oligomer modulator
ribociclibribociclib: inhibits both CDK4 and CDK6
1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thioureaaminopyridine
1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thioureaaminopyridine
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,3-dichloro-1H-indol-2-onearomatic ketone
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
bi167107BI167107: structure in first source
pha 793887piperidinecarboxamide
azd3839AZD3839: a BACE1 inhibitor; structure in first source
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
sb 1518
abemaciclib
mk-8776
gs-9620
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholineindoles
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
lalistat 2
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamidearomatic amide;
furans
jnj38877605quinolines
dinaciclibpyrazolopyrimidine
etp-46321ETP-46321: inhibits PI3K alpha and PI3K delta; structure in first source
ch 5132799CH 5132799: structure in first source
nms p937NMS P937: a polo-like kinase 1 inhibitor; structure in first source
gilteritinibgilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.

gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinibaromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
glpg0634
wms 1410
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
ly2886721
nms-p118NMS-P118: a PARP-1 inhibitor; structure in first source
n,n-diallyl-5-methoxytryptamineN,N-diallyl-5-methoxytryptamine: structure in first sourcetryptamines
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
gdc-0032
pf-4989216PF-4989216: inhibits phosphatidylinositol 3-kinase; structure in first source
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
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
azd8186
bix 02565
phosphomannopentaose sulfatephosphomannopentaose sulfate: structure in first source
(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
ass234
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
cudc-907
ascorbic acidAscorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.

L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.

L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.

vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.
ascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
raltegravir1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide
antiviral drug;
HIV-1 integrase inhibitor
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
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.
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
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
rk 682
4,7-Dihydroxy-2H-1-benzopyran-2-onehydroxycoumarin
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
N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
a 1062A 1062: inhibits resolvase binding to the res site; structure given in first source
dolutegravirdifluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide
HIV-1 integrase inhibitor
urmc-099URMC-099: inhibits mixed lineage kinase 3
sar245408
byl719proline derivative
rpx7009RPX7009: a beta-lactamase inhibitor; structure in first source
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
mk-8825
amg 511AMG 511: structure in first source
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
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
pg 545PG 545: an anti-angiogenesis agent with heparanase inhibitory activity; structure in first source
cc214-2CC214-2: an mTOR kinase inhibitor; structure in first source
cc-223
cc-1151-ethyl-7-(2-methyl-6-(1H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino(2,3-b)pyrazin-2(1H)-one: an mTOR kinase inhibitor; structure in first source
azd1208
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
vx-509
a-1155463A-1155463: a Bcl-X(L) inhibitor; structure in first source
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
pf-543PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first sourcesulfonamide
ly3000328LY3000328: a cathepsin S inhibitor
gsk2578215aGSK2578215A: an inhibitor of LRRK2 kinase; 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
gne-317GNE-317: an mTOR inhibitor also; structure in first source
osimertinibosimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.

osimertinib: an EGFR tyrosine kinase inhibitor
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
pf-062829992-(6-(5-chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide: a myeloperoxidase inhibitor for treatment of cardiovascular diseases; structure in first source
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
atogepantatogepant : A secondary carboxamide resulting from the formal condensation of the carboxy group of (3'S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid with the amino group of (3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one. It is a selective oral, small-molecule antagonist of calcitonin gene-related peptide (CGRP) receptor that has been approved for the treatment of migraine.azaspiro compound;
organic heterotetracyclic compound;
piperidones;
secondary carboxamide;
trifluorobenzene
calcitonin gene-related peptide receptor antagonist
etp-46464ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source
af38469
pf-06447475
sar405SAR405: a Vps34 inhibitor with antineoplastic activity; structure in first source
gne-9605
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
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
s 8932aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine
anticoronaviral agent;
antiviral drug;
prodrug
at 9283
otssp167OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity
chir 258
osi 027OSI 027: inhibits both mTORC1 and mTORC2; structure in first source
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
deoxyinosinepurine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae 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 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
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
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
zaprinastzaprinast: anaphylaxis inhibitor; structuretriazolopyrimidines
vardenafilvardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
Imidazosagatriazinonepyrazolopyrimidine
4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl esteramidobenzoic acid
phthivazide
1-hydroxyphenazine1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position.

1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa
phenazines
2-pyridin-4-yl-1H-quinazolin-4-oneorganonitrogen heterocyclic compound
tegaserod maleatemaleate saltserotonergic agonist
ag-879AG-879: structure given in first source
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.
N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamidequinazolines
2-(4-methoxyphenyl)-1H-quinazolin-4-onequinazolines
adenalleneadenallene: structure given in first source; inhibits replication and cytopathic effects of HIV in vitro
bms 536924BMS 536924: inhibits insulin-like growth factor I receptor kinase; structure in first source
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-onequinazolines
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
5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazolepyrazoles;
ring assembly
2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
6-((3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidin-4-one
bay 80-6946copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies.

copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source
pp242torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine
antineoplastic agent;
mTOR inhibitor
thiamet g
nms-e973NMS-E973: structure in first source
N-[(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