Page last updated: 2024-10-24

insulin secretion

Definition

Target type: biologicalprocess

The regulated release of proinsulin from secretory granules accompanied by cleavage of proinsulin to form mature insulin. In vertebrates, insulin is secreted from B granules in the B cells of the vertebrate pancreas and from insulin-producing cells in insects. [GOC:mah, ISBN:0198506732]

Insulin secretion is a complex process that is tightly regulated by blood glucose levels. It involves a series of events that begin with the entry of glucose into pancreatic beta cells. Glucose is transported into the cells via the GLUT2 transporter. Once inside the cell, glucose is metabolized through glycolysis and the citric acid cycle, leading to the production of ATP. The increased ATP levels close ATP-sensitive potassium (KATP) channels in the plasma membrane of the beta cells. This closure of KATP channels depolarizes the membrane potential, opening voltage-gated calcium (Ca2+) channels. The influx of Ca2+ triggers the fusion of insulin-containing secretory granules with the plasma membrane, releasing insulin into the bloodstream. This process is known as exocytosis. Insulin secretion is also regulated by other factors, including glucagon-like peptide-1 (GLP-1), glucose-dependent insulinotropic polypeptide (GIP), and incretins. These factors enhance insulin secretion by increasing cAMP levels and activating protein kinase A (PKA). PKA phosphorylates and activates proteins involved in insulin secretion, leading to a greater release of insulin. In summary, insulin secretion is a complex and tightly regulated process that is initiated by the entry of glucose into pancreatic beta cells. This triggers a series of events, including the closure of KATP channels, depolarization of the membrane potential, opening of Ca2+ channels, and exocytosis of insulin-containing granules. Insulin secretion is also regulated by other factors, such as incretins, which amplify the insulin response to glucose.'
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Proteins (10)

ProteinDefinitionTaxonomy
Rap guanine nucleotide exchange factor 4A Rap guanine nucleotide exchange factor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WZA2]Homo sapiens (human)
Glucose-dependent insulinotropic receptorA glucose-dependent insulinotropic receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q8TDV5]Homo sapiens (human)
Ovarian cancer G-protein coupled receptor 1A sphingosylphosphorylcholine receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q15743]Homo sapiens (human)
Activin receptor type-2BAn activin receptor type-2B that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13705]Homo sapiens (human)
Calcium/calmodulin-dependent protein kinase type II subunit gammaA calcium/calmodulin-dependent protein kinase type II subunit gamma that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13555]Homo sapiens (human)
Protein kinase C epsilon typeA protein kinase C epsilon that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q02156]Homo sapiens (human)
Sterol regulatory element-binding protein 1A sterol regulatory element-binding protein 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P36956]Homo sapiens (human)
Melanocortin receptor 4A melanocortin receptor 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P32245]Homo sapiens (human)
Interleukin-1 receptor antagonist proteinAn interleukin-1 receptor antagonist protein that is encoded in the genome of human. [PRO:CNA, UniProtKB:P18510]Homo sapiens (human)
Free fatty acid receptor 1A free fatty acid receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14842]Homo sapiens (human)

Compounds (844)

CompoundDefinitionClassesRoles
cysteine sulfinic acidcysteine sulfinic acid: metabolite of sulfur-containing amino acids
pentachlorophenolPENTA: structure given in first sourcearomatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes
human xenobiotic metabolite
1-aminobenzotriazole
edelfosine1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.

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

edelfosine: RN given refers to parent cpd
glycerophosphocholine
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
amiodaroneamiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.

Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound
cardiovascular drug
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
bay-k-86443-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester: A dihydropyridine derivative, which, in contrast to NIFEDIPINE, functions as a calcium channel agonist. The compound facilitates Ca2+ influx through partially activated voltage-dependent Ca2+ channels, thereby causing vasoconstrictor and positive inotropic effects. It is used primarily as a research tool.

Bay-K-8644 : A racemate comprising equimolar amounts of (R)- and (S)-Bay-K-8644

methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate : A pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
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
butylbenzyl phthalatespatozoate: structure in first sourcebenzyl ester
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
bisindolylmaleimide ibisindolylmaleimide I: a bis(indolyl)maleimide
bisindolylmaleimide ivindoles;
maleimides
ro 31-8425
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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
chlorpyrifoschlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.

Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.
chloropyridine;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
clofoctoldiarylmethane
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
diazinondiazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.

Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.
organic thiophosphate;
pyrimidines
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
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
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
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
disulfotondisulfoton : An organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate.

Disulfoton: An organothiophosphate insecticide.
organic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
efavirenz
famprofazonefamprofazone: structure given in first source; ingredient of Gewodin; methamphetamine is a metabolite of this cpdpyrazoles;
ring assembly
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
guaiazuleneguaiazulene: structuresesquiterpene
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamideisoquinolines;
sulfonamide
n-(2-aminoethyl)-5-isoquinolinesulfonamide
1-(5-isoquinolinesulfonyl)piperazineisoquinolines
fasudilfasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.

fasudil: intracellular calcium antagonist; structure in first source
isoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
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
iopanoic acidIopanoic Acid: Radiopaque medium used as diagnostic aid.monocarboxylic acid
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
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
staurosporine aglyconestaurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor
celanide
lauric aciddodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.medium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antibacterial agent;
plant metabolite
ly 171883LY 171883: structure in first source; leukotriene receptor antagonist

tomelukast : A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.
acetophenones;
aromatic ether;
phenols;
tetrazoles
anti-asthmatic drug;
leukotriene antagonist
methoxychlorMethoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects.organochlorine insecticide
Meticranethiochromane
miconazole1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.

miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.

Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.
dichlorobenzene;
ether;
imidazoles
minaprineminaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structuremorpholines;
pyridazines;
secondary amine
antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
mitotaneMitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.diarylmethane
nabumetonenabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.

Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.
methoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
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
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
ns 1619NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).

NS 1619: structure given in first source
(trifluoromethyl)benzenes;
benzimidazoles;
phenols
potassium channel opener
perphenazineperphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.

Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenolphthaleinPhenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.phenols
moxonidinemoxonidine: structure given in first sourceorganohalogen compound;
pyrimidines
pinacidilPinacidil: A guanidine that opens POTASSIUM CHANNELS producing direct peripheral vasodilatation of the ARTERIOLES. It reduces BLOOD PRESSURE and peripheral resistance and produces fluid retention. (Martindale The Extra Pharmacopoeia, 31st ed)pyridines
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
1-NA-PP1pyrazolopyrimidinetyrosine kinase inhibitor
prochlorperazineprochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.

Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612)
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines
alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
ritanserinritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action.

Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure.
organofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
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
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase 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
testosterone propionateandrogen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.

Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position.
steroid ester
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
9,10-phenanthrenequinone9,10-phenanthrenequinone: structurephenanthrenes
diisobutyl phthalatediisobutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.diester;
phthalate ester
plasticiser;
PPAR modulator;
teratogenic agent
n,n'-diethylcarbanilide
acriflavine chloride3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine.organic chloride saltantibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator
1-naphthylphenylamineN-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structurenaphthalenes
6-phenyl-1,3,5-triazine-2,4-diamine6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source
pyroninepyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method.

Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.
iminium salt;
organic chloride salt
histological dye
phenidonephenidone: photographic developer; RN given refers to parent cpd; structure
2,4-d n-butyl ester
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
o-aminoazotolueneo-Aminoazotoluene: An azo dye with carcinogenic properties.
clorophene
3-tert-butyl-4-hydroxyanisole3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.aromatic ether;
phenols
antioxidant;
human xenobiotic metabolite
di-n-propylphthalatedi-n-propylphthalate: RN & Structure given in first source

dipropyl phthalate : A phthalate ester that is the dipropyl ester of benzene-1,2-dicarboxylic acid.
diester;
phthalate ester
diallyl phthalate
2,4-dihydroxybenzophenone2,4-dihydroxybenzophenone: structure in first sourcebenzophenones
2-Phenylethyl 2-aminobenzoatebenzoate ester
neozoneN-phenyl-2-naphthalenamine: structure in first sourcenaphthalenes
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
1,4-dimethoxybenzene1,4-dimethoxybenzene: structure given in first sourcedimethoxybenzene
benz(c)acridineorganonitrogen heterocyclic compound;
polycyclic heteroarene
2,3-dimercaptosuccinic acid
ostholosthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first sourcebotanical anti-fungal agent;
coumarins
metabolite
flavanoneflavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4.

flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source
flavanones
16-hydroxypalmitic acid16-hydroxyhexadecanoic acid : An omega-hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle.hydroxypalmitic acid;
omega-hydroxy-long-chain fatty acid
plant metabolite
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite
dibromsalicildibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic
evernic acidevernic acid: RN given refers to parent cpdcarbonyl compound
chlorotrianiseneChlorotrianisene: A powerful synthetic, non-steroidal estrogen.chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
pentabromophenol
dicarbethoxydihydrocollidine3,5-diethoxycarbonyl-1,4-dihydrocollidine : A dihydropyridine that is 2,4,6-trimethyl-1,4-dihydropyridine substituted by ethoxycarbonyl groups at positions 3 and 5.

Dicarbethoxydihydrocollidine: 1,4-Dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylic acid diethyl ester.
dihydropyridine;
ethyl ester
hepatic steatosis inducing agent
2-amino-5-chlorobenzophenone2-amino-5-chlorbenzophenone: structure given in first source
estradiol valeratesteroid ester
rimantadine hydrochlorideorganic molecular entity
digoxigenindigoxigenin : A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.

Digoxigenin: 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol
hapten;
plant metabolite
4-octylphenol4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

4-octylphenol: xenoestrogen
phenolsmetabolite;
surfactant;
xenoestrogen
7-hydroxychlorpromazine7-hydroxychlorpromazine: RN given refers to parent cpdphenothiazines
4-(octyloxy)benzoic acidbenzoic acids
3-aminofluoranthene3-aminofluoranthene: structure given in first source
2-amino-2',5-dichlorobenzophenone2-amino-2',5-dichlorobenzophenone: structure given in first source
1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane: a flame retardant and androgen receptor agonist; structure in first source
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
aseanostatin p512-methyltetradecanoic acid : A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent.

aseanostatin P5: from actinomycetes; inhibits myeloperoxidase release from human polymorphonuclear leukocytes; structure given in first source; RN given refers to cpd without isomeric designation
branched-chain saturated fatty acid;
long-chain fatty acid
LSM-22634alkaloid
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineflavin
2-bromo-N-phenylbenzamidebenzamides
tetradecanoylphorbol acetatephorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.

phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.

Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester
antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
fenamiphosorganophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
rafoxanideRafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations.
zidovudinezidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.

Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.
azide;
pyrimidine 2',3'-dideoxyribonucleoside
antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
pbde 992,4-dibromophenyl 2,4,5-tribromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.polybromodiphenyl ether
2,4,5,2',4',5'-hexachlorobiphenylhexachlorobiphenyl
phorbol 12,13-dibutyratePhorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
isovelleralisovelleral: structure given in first sourcealdehyde
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
Nanaomycinbenzoisochromanequinone
closantelclosantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections.

closantel: structure

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
s-2678XI-006: diminishes MDM4 promoter activity; structure in first source
triciribine phosphate
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
butoconazole nitratebutoconazole nitrate : An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
triclabendazolearomatic ether
lovastatinlovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).

Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
chaetochrominchaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A
bambuterol hydrochloridebambuterol hydrochloride : The hydrochloride salt of bambuterol. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.carbamate ester;
hydrochloride;
phenylethanolamines
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent
quinpirole hydrochloride
thiophenoxyacetic acidthiophenoxyacetic acid: structure
clopidogrelclopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.

Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.
methyl ester;
monochlorobenzenes;
thienopyridine
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
topotecan hydrochloride
Eugenyl benzoatecarbonyl compound
daunorubicin hydrochlorideanthracycline
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
norharmanbeta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.

norharman: RN given refers to parent cpd
beta-carbolines;
mancude organic heterotricyclic parent
fungal metabolite;
marine metabolite
betulinic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
platanic acidplatanic acid : A pentacyclic triterpenoid that is 30-norlupan-28-oic acid substituted by a 3beta-hydroxy and an oxo group at position 20. It is isolated from the leaves of Syzygium claviflorum and exhibits anti-HIV activity.

platanic acid: inhibits HIV replication; isolated from Syzigium claviflorum; structure in first source
hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid
anti-HIV agent;
metabolite
diacetylfluorescein
n-acetylaspartic acidN-acetyl-L-aspartic acid : An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.N-acetyl-L-amino acid;
N-acyl-L-aspartic acid
antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
sulconazole, mononitrate, (+-)-isomerconazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
physodic acidphysodic acid: lichen constituentcarbonyl compound
repaglinidepiperidines
toxoflavintoxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.

toxoflavin: azapteridine antibiotic; structure
carbonyl compound;
pyrimidotriazine
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
tangeretinpentamethoxyflavone : A methoxyflavone that is flavone substituted by a five methoxy groups.

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

tangeretin: structure given in first source; from citrus plants; inhibits invasion of MO4 mouse cells into embryonic chick heart in vitro
pentamethoxyflavoneantineoplastic agent;
plant metabolite
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.
bithionol sulfoxidebithionol sulfoxide: RN given refers to parent cpd; structure
cresolphthaleincresolphthalein: structure
naphthyl phenyl ketonenaphthyl phenyl ketone: structure in first source
ubenimexubenimex: growth inhibitor
magnololbiphenyls
honokiolbiphenyls
chelerythrine chloride
betulinbetulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.

betulin: isolated from various white birch bark (BETULA)
diol;
pentacyclic triterpenoid
analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
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
coumarin 153coumarin 153: structure in first source7-aminocoumarinsfluorochrome
berberrubineberberrubine: RN refers to chloride salt; a protoberberine alkaloid antitumor agent which exhibits topoisomerase II poison activity as well as catalytic inhibition activity; structure in first source
methyl fluorone blackmethyl fluorone black: structure
1,10-phenanthroline-5,6-dione1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source
rebeccamycinrebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens.

rebeccamycin: from actinomycete strain C-38,383; structure given in first source
indolocarbazole;
N-glycosyl compound;
organic heterohexacyclic compound;
organochlorine compound
lobaric acidlobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first sourcecarbonyl compound
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor
stictic acidstictic acid: antioxidant from lichen, Usnea articulata; structure in first sourcearomatic ether
oxazolidin-2-oneoxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.

oxazolidinone : An oxazolidine containing one or more oxo groups.

Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.
carbamate ester;
oxazolidinone
metabolite
n-benzylmaleimide
2-phenylisatogen2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure
1-pyrenebutyrate1-pyrenebutyrate: fluorescent probe; RN given refers to 1-pyrenebutyrate
4-phenyl-1,2,4-triazoline-3,5-dione4-phenyl-1,2,4-triazoline-3,5-dione: structure given in first source
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
12-hydroxydodecanoic acid12-hydroxylauric acid : A medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid.omega-hydroxy-medium-chain fatty acidhuman metabolite
2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione
pc-796
sennoside Bsennoside B : A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'.oxo dicarboxylic acid;
sennosides
prochlorperazine edisylate salt
nimustinenimustine hydrochloride : A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors.hydrochlorideantineoplastic agent
melanotan-iimelanotan-II: synthetic cyclic heptapeptide, an analog of alpha-melanotropin (4,10); capable of stimulating melanin synthesis & promoting rapid tanning of skin; currently in trials for use in the prevention of sunlight-induced skin cancerorganic molecular entity
totaroltotarol: structure given in first source; isolated from the bark of Podocarpus nagiditerpenoidmetabolite
3-hydroxydodecanoic acid3-hydroxydodecanoic acid: RN given refers to cpd without isomeric designation

3-hydroxylauric acid : A medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders.
3-hydroxy fatty acid;
medium-chain fatty acid
coumarin 7coumarin 7: structure in first source
diffractaic aciddifractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first sourcecarbonyl compound
osajinosajin: from Maclura pomiferaisoflavanones
2,2',4,4'-tetrabromodiphenyl etheraromatic ether;
organobromine compound
4-chloro-3-(2,4-dihydroxyphenylazo)-2-hydroxybenzene-1-sulfonic acid
6-methoxyflavanone6-methoxyflavanone: structure in first source
2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source
n-benzoyl-l-phenylalaninolN-benzoyl-L-phenylalaninol : A member of the class of benzamides resulting from the formal condensation of the carboxy group of benzoic acid with the amino group of L-phenylalaninol.

N-benzoyl-L-phenylalaninol: isolated from culture filtrate and mycelium af Aspergillus flavipes ATCC 11013; structure
wr 159412
karanjinkaranjin: structure given in first sourceextended flavonoid
4'-methoxyflavanone4'-methoxyflavanone : The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position.4'-methoxyflavanones
indolactam vindolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first sourceindoles
cl 218872CL 218872: shows specific action on benzodiazepine receptors; structurepyridazines;
ring assembly
carboxyamido-triazolecarboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201
pterosin bpterosin B: structure in first source
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
angiotensin ii, des-asp(1)-des-arg(2)-ile(5)-angiotensin II, des-Asp(1)-des-Arg(2)-Ile(5)-: 3-8 hexapeptide fragment of angiotensin II; smallest potent angiotensin II antagonistorganic molecular entity
lestaurtinibindolocarbazole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist
teomorfolinteomorfolin: structure given in first source
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
1,2-dioctanoylglycerol1,2-dioctanoyl-sn-glycerol : 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5.1,2-diacyl-sn-glycerol;
dioctanoylglycerol
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
12-phenyllauric acid
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
schizandrin aschizandrin A: the major lignan, 2-9%, of Schisandra plant; has hepatoprotective, antioxidant, and antineoplastic activities
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
7-octylindolactam v7-octylindolactam V: only (-)-isomer has carcinogenic activity
tetrahydroharmine
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
epiberberineepiberberine: isolated in plants of Coptis from China
8-(4-benzenesulfonylamino)quinoline8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source
f 1459F 1459: RN given refers to HCl
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
sb 216763indoles;
maleimides
enzastaurinindoles;
maleimides
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase 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
glucuronolactone
1,1,3,3-tetraphenylureaureas
1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source
raubasine
oxolamine citrate
esi-05ESI-05: an Epac inhibitor; structure in first source
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylatediethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate: structure in first source
acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) esternaphthalenes
nsc228155
1-(benzenesulfonyl)indolesulfonamide
nsc-260594NSC-260594: structure in first source
1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)ureaureas
[4-(4-hydroxyphenyl)phenyl]-phenylmethanonebenzophenones
1,3(2h,4h)-isoquinolinedione1,3(2H,4H)-isoquinolinedione: structure in first source
graveolinegraveoline: structure in first sourcequinolines
4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acidtrihydroxyanthraquinone
nsc668394
nsc354961
saquinavirsaquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.

Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.
L-asparagine derivative;
quinolines
antiviral drug;
HIV protease inhibitor
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetatecarbotricyclic compound;
carboxylic ester;
cyclic ketone
doxorubicin hydrochlorideanthracycline
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
docosahexaenoateall-cis-docosa-4,7,10,13,16,19-hexaenoic acid : A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19.

docosahexaenoate : A polyunsaturated fatty acid anion that is the conjugate base of docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

docosahexaenoic acid : Any C22 polyunsaturated fatty acid containing six double bonds.

efalex: a mixture of fish oil and primrose oil; used as a high-docosahexaenoic acid fatty acid supplement
docosahexaenoic acid;
omega-3 fatty acid
algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
oleic acidoleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.

Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed)
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
t0901317T0901317: an LXRalpha and LXRbeta agonist
7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine
purvalanol bpurvalanol B: protein kinase inhibitor; structure in first sourcepurvalanolprotein kinase inhibitor
h 89(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.

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

N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
12-deoxyphorbol 13-acetatephorbol estermetabolite
purvalanol a6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;purvalanol
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
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
1-methoxyphaseollidin1-methoxyphaseollidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first sourcepterocarpans
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazolebenzoxazole
8-isopentenylnaringenin8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first sourceflavanones
1-[(4-fluoro-1-naphthalenyl)sulfonyl]piperidinenaphthalenes;
sulfonic acid derivative
2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd
N-benzylquinazolin-4-amineN-benzylquinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4.benzenes;
quinazolines;
secondary amino compound
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-onebenzodiazepine
idarubicin hydrochlorideanthracycline
ricinoleic acidricinoleic acid : A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration..

ricinoleic acid: RN given refers to (R-(Z))-isomer; structure in Merck Index, 9th ed, #8005
(9Z)-12-hydroxyoctadec-9-enoic acid
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid butyl esterdichlorobenzene
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4h-chromene2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4H-chromene: induces apoptosis; structure in first source
5-[4-morpholinyl(oxo)methyl]-2-pyranonemorpholines
2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester2-methoxyethyl ester;
N-arylpiperazine
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl esterquinoxaline derivative
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl esterquinoxaline derivative
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl esterleucine derivative
4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-onecoumarins
Glyceryl lactopalmitatepyrazoles;
ring assembly
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamidepyrrolopyrimidine
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.
3,3',4,5'-tetrahydroxystilbene3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer

piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.
catechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
N-(3-acetamidophenyl)-4-methoxybenzamidebenzamides
1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazinepiperazines
5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl esteraryl sulfide
4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl esterbenzoate ester
Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylatethiophenecarboxylic acid
N-(2,5-dimethylphenyl)-2-benzofurancarboxamidearomatic amide;
furans
4-methyl-2-(2-naphthalenyl)-1-phthalazinonephthalazines
6-methyl-4-(trifluoromethyl)-7,8,9,10-tetrahydropyrano[2,3-f]quinolin-2-onepyridochromene
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thionebenzimidazoles
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamidesulfonamide
2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine1,3,5-triazines;
organic sulfide
2-(3-cyano-4,5,6-trimethyl-1H-pyridin-2-ylidene)propanedinitrilemonoterpenoid
N-(3-acetamidophenyl)-2-chlorobenzamidebenzamides
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazolebenzimidazoles
2-(2,4-dimethylphenyl)-5-benzotriazolaminetriazoles
N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamideisoindoles
2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dionecyclic ketone;
indanones
4,5-dimethylcyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl esterquinolizines
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl esterquinolines
1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazoletetrazoles
2-(2-chlorophenyl)-5-(2-methylpropylamino)-4-oxazolecarbonitrile1,3-oxazoles
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamideanilide
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamidesulfonamide
2-(2-fluorophenyl)-5-(4-methyl-1-piperidinyl)-4-oxazolecarbonitrile1,3-oxazoles
1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dionepiperazines
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamidepiperidines
2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamidecoumarins
2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl esterbenzoate ester
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenolaromatic amine;
tertiary amino compound
2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamidethioureas
umi-77UMI-77: an Mcl-1 inhibitor; structure in first source
3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamidearomatic amide
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanonethienopyridine
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamidenaphthalenes
N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamidebenzamides
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanaminebenzodioxoles
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamidearomatic amide
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamideC-nitro compound
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamidearyl sulfide
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanonearomatic ketone
4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-N,N-dimethylbenzenesulfonamidesulfonamide
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanoneN-arylpiperazine
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamidebenzamides
4-(2,6-dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidineorganonitrogen heterocyclic compound
2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide(trifluoromethyl)benzenes
4-(4-methyl-1-piperazinyl)-2,6-diphenyl-5-pyrimidinecarbonitrilepyrimidines
4-[4-(2,4-dichlorophenyl)-2-thiazolyl]benzoic acidbenzoic acids
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-indolyl]acetic acid methyl esterindole-3-acetic acids
3-amino-N-(4-methylphenyl)-5-(methylthio)-1,2,4-triazole-4-carboxamideureas
5-methoxy-4-[(2-methoxyphenyl)thio]-2-phenylpyrimidinearyl sulfide
N-(4-bromo-2,6-dimethylphenyl)-2-methoxybenzamidebenzamides
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
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acidnitronaphthalene
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acidpiperidines
chlorogenic acidcaffeoylquinic acid: Antiviral Agent; structure in first source

chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.
cinnamate ester;
tannin
food component;
plant metabolite
2-butoxy-3-phenyl-4-quinazolinonequinazolines
5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinaminepyrazoles;
ring assembly
5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl esterbenzofurans
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenolaromatic amine
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylanilinearomatic ether
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amineN,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and dibutylnitrilo groups, respectively.pyridines;
quinazolines;
tertiary amino compound
1-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-3-phenylureaquinoxaline derivative
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrilearomatic ether
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamidequinoxaline derivative
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indolesulfonamide
2,4-dibromo-6-[(3-quinolinylamino)methyl]phenolaminoquinoline
1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl esterindolecarboxamide
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl esterdihydropyridine
3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-onebenzoxazole
N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamidepiperazines
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridinephenylpyridine
[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanonepiperazines
N-[(4-methoxyphenyl)methyl]-2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxamidenaphthofuran
1-(4-bromo-2-chlorophenyl)-3-(3-methyl-2-pyridinyl)thioureathioureas
2-butoxy-7-hydroxy-9-fluorenonefluorenes
4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl esterdihydropyridine
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl esterflavones;
tert-butyl ester
4E2RCatorganic molecular entity
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamidebiphenyls
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl esterbenzamides
cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] esterpiperidines
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamidebenzamides
4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] esterindoles
2-(4-methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazolemethoxybenzenes
2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamideorganochlorine compound
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamideorganonitrogen compound;
organooxygen compound
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl esterbenzoate ester;
phenols
4-[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-onequinolinesanticoronaviral agent
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamidebenzodioxoles
2-chloro-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] esteraromatic ketone
5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1-piperidinyl)thieno[2,3-d]pyrimidinedimethoxybenzene;
thienopyrimidine
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamidequinoxaline derivative
5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
2-(4-methyl-1-piperidinyl)-N-[2-(phenylthio)phenyl]acetamideamino acid amide
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
3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl esterthiophenecarboxylic acid
4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] esterphenylpyridine
4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxylic acid methyl esterthienopyridine
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamidearomatic ether
4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] esterpiperidines
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamidearomatic amide
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamidepiperidines
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamidearomatic ether;
C-nitro compound
3-[4-(4-chlorophenyl)-1-piperazinyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dionepiperazines
1-hexadecyl-3-methylimidazolium bromide1-hexadecyl-3-methylimidazolium bromide: structure in first source
6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl esterpyrimidinecarboxylic acid
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthioureathioureas
[(2S)-1,3-dimethyl-3'-nitro-1'-spiro[cyclohepta[d]imidazol-3-ium-2,4'-cyclohexa-2,5-diene]ylidene]-dioxidoammoniumimidazolines
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamidemonoterpenoid
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-oneorganonitrogen compound;
organooxygen compound
1,3,8-trimethyl-5,10-diphenylpyrimido[1,2]pyrrolo[4,5-b]pyridazine-2,4-dionepyridazines;
ring assembly
eskazine
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamidehydroxyquinoline
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamidehydroxyquinoline
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dioneisoquinolines
N-[3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]benzamidebenzodiazepine
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acidbenzamides
2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]onequinazolines
1-(4-morpholinyl)-2-(4-phenylphenoxy)-1-propanonebiphenyls
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanonebenzoic acids
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazoleimidazoles
1-(2-furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanonearyl sulfide
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
(4As,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidtriterpenoid
1-(4-nitrophenyl)sulfonyl-2-benzimidazolaminesulfonamide
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
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
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
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
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
trimethoprim
n-(2-naphthalene)sulfonyl-dl-tryptophan
9-hydroxyiminofluorene-2,7-disulfonamidefluorenes
2-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl esterthiophenecarboxylic acid
2-(2-bromophenyl)-2,3-dihydro-1H-perimidinenaphthalenes
2-furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanonefuroic acid
9-chloro-6-methylindolo[3,2-b]quinoxalinequinoxaline derivative
5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dioneindoles
9-(2-ethoxy-3-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-onequinolines
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamideorganonitrogen compound;
organooxygen compound
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneimidazoles
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinaminequinazolines
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl esterquinolines
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acidpeptide
3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanonequinolines
4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-2H-quinolin-1-yl)methanonequinolines
3-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl esteraromatic amide
N-[2-(2-ethyl-1-piperidinyl)ethyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamideamino acid amide
1-[[1-(2-methoxyanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxamideisoquinolines
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinaminepyrimidines
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] esterC-nitro compound;
thiophenes
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-[2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamidesulfonamide
2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazidetriazoles
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamidepiperidines
(S)-4',5,7-Trihydroxy-6-prenylflavanoneflavanones
7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehydeazaphilone
1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methylphenyl)thioureathioureas
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thionearomatic ether
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazoleimidazoles
2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetic acidorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamidepiperazines
2-hydroxy-2-pentyl-N'-phenylheptanehydrazidephenylhydrazines
4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide1,4-naphthoquinones
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onedimethoxybenzeneanticoronaviral agent
5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl esterindolyl carboxylic acid
3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e-4',3'-f]pyrimidinonepyridopyrimidine
1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazolemethoxybenzenesanticoronaviral agent
or486OR486: structure given in first source
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-onebenzimidazoles
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-onebenzodiazepine
(5,7-dibromo-2-benzofuranyl)-(3,5-dimethyl-1-piperidinyl)methanonebenzofurans
2-(1,3-benzoxazol-2-ylthio)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonebenzoxazole
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamidepiperazines
2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide1-benzopyran
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thionebenzenes
N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamidesulfonamide
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamidequinolines
1-pyrrolidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanonepiperidines
N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamidearomatic amide
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazolebenzimidazoles
jhw 015indolecarboxamide
2-[4-(dimethylamino)phenyl]azobenzoic acid [2-(1-azepanyl)-2-oxoethyl] esterazobenzenes
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamideacetamides
5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamideindoles
1-(5-nitro-2-thiophenyl)piperidineC-nitro compound;
thiophenes
2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl esterthiophenecarboxylic acid
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamineC-nitro compound
pd 407824
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl esteraromatic ether
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] esterbenzoate ester;
phenols
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonetoluenesanticoronaviral agent
2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2,6-diethylphenyl)acetamidebenzimidazoles
LSM-1925organic heterotricyclic compound;
organooxygen compound
isovitexinC-glycosyl compound;
flavonoids
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitorbenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamideimidazolidine-2,4-dione
N-(5-methyl-3-isoxazolyl)-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamidequinolines
2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamidebiphenyls
3-(1-methyl-2-benzimidazolyl)-1-(3-methylphenyl)-2-pyrrolo[3,2-b]quinoxalinaminepyrroles
5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamineaminopyridine
2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onepyrazolidinesanticoronaviral agent
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-onepyrazoles;
ring assembly
2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl esterpyranopyranone
5,6-dimethyl-1-octyl-4-benzimidazolaminebenzimidazoles
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamidebenzamides
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamidebenzamides
linoleic acidlinoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.

Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed)
octadecadienoic acid;
omega-6 fatty acid
algal metabolite;
Daphnia galeata metabolite;
plant metabolite
gamma-linolenic acidgamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12.

gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed)
linolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
alpha-linolenic acidlinolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.

linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.
linolenic acid;
omega-3 fatty acid
micronutrient;
mouse metabolite;
nutraceutical
harmineharmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.

Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
Licarin Abenzofurans
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
isotretinoinisotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.

Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
irsogladinedichlorobenzene
terbinafine hydrochlorideterbinafine hydrochloride : A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.allylamine antifungal drug;
hydrochloride
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
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
calcifediolD3 vitamins;
diol;
hydroxycalciol
bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical
acitretinacitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.

Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate.
acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid
keratolytic drug
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
ophiocordinazepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin)
alvocidibalvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.

alvocidib: structure given in first source
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
3-[(5-chloro-2-pyridinyl)amino]-2-(2-pyridinyl)-3H-isoindol-1-oneisoindoles
3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl esterisoindoles
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanoneisoquinolines
2-[6-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl esteralpha-amino acid ester
4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl esteramidobenzoic acid
3-(2-ethoxyanilino)-2-(2-furanylmethyl)-3H-isoindol-1-oneisoindoles
kn 62KN 62: inhibitor of Ca/calmodulin-dependent protein kinase IIpiperazines
su 6656SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source

SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.
8-geranyloxypsoralenterpene lactone
Squamatic acidcarbonyl compound
arcyriaflavin aarcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first sourceindolocarbazole
pd 161570PD 161570: structure in first source
bosutinib4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first sourceaminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
semaxinibsemaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.olefinic compound;
oxindoles;
pyrroles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
orantiniborantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.

orantinib: an antiangiogenic agent
su 11248monocarboxylic acid amide;
pyrroles
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
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
thunberginol bthunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source
semilicoisoflavone bsemilicoisoflavone B : A member of the class of 7-hydroxyisoflavones that is 2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8'. It has been isolated from Glycyrrhiza uralensis.

semilicoisoflavone B: isolated from Glycyrrhiza uralensis; structure in first source
7-hydroxyisoflavonesEC 1.1.1.21 (aldehyde reductase) inhibitor;
plant metabolite
vx680N-arylpiperazine
[(10R,13S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetatesteroid ester
methylbenzethonium chloridealkylbenzene
quinaldine redquinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure
metochalconemetochalcone: structure
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound
3-amino-5-(4-bromophenyl)-4-pyridazinecarbonitrilepyridazines;
ring assembly
hesperidinflavonoids;
glycoside
homatropine hydrobromide, (endo-(+-)-isomer)
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
sclerotiorinsclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first sourceazaphilone
columbianadincolumbianadin : An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol.

columbianadin: furanocoumarin isolated from Peucedanum palustre; RN given refers to columbianadin, (S-(Z))-isomer
alpha,beta-unsaturated carboxylic ester;
furanocoumarin
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
o-geranylsinapyl alcoholO-geranylsinapyl alcohol: structure given in first source; isolated from the bark of Fagara rhetza, an Indonesian medicinal plant
kolavenic acidkolavenic acid: from Polyalthia longifolia; structure given in first source; RN given refers to (1S-(1alpha(E),2beta,4abeta,8aalpha))-isomer; RN for cpd without isomeric designation not avail 3/92
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
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2-methylphenoxy)acetamidepiperazines
a 419259
fluphenazine
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
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
2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acidacridines
[4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-(1-piperidinyl)methanoneN-acylpiperidine
6-ethyl-8-methyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamidedibenzothiazepine
cgp 533534,5-bis(4-fluoroanilino)phthalimide: structure in first sourcephthalimides
temsirolimusmacrolide lactam
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
pmx 53
pep0053-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source
on 01910N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group.

ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source

rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties.
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent
corosolic acidtriterpenoidmetabolite
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenolimidazoles
a 770041aromatic amide
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
av 412
telatinib
edotecarin
y-39983Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first sourcepyrrolopyridine
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
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
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
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
ml 002537642-(2-(2-(5-bromo-2-methoxyphenyl)ethyl)-3-fluorophenyl)-4,5-dihydro-1H-imidazole: 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
ripasudilisoquinolines
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
ki 20227
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
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
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
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
shu 9119SHU 9119: an agouti mimetic; structure in first source
y 27632, dihydrochloride, (4(r)-trans)-isomer
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
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
bms-470539BMS-470539: a selective small molecule agonist of the melanocortin-1 receptor inhibits lipopolysaccharide-induced cytokine accumulation and leukocyte infiltration in mice; structure in first source
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
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
bremelanotidebremelanotide: a synthetic peptide analogue of alpha-MSH, is an agonist at melanocortin receptors including the MC3R and MC4R, which are expressed primarily in the central nervous system;oligopeptide
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
ps1145PS1145: IkappaB kinase inhibitor; structure in first sourcebeta-carbolines
ly2090314LY-2090314 : A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer.diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
pimaric acid
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
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
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
emergil
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
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
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
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
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
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
macelignanmacelignan: an NSAID with antioxidant, free radical scavenging, and neuroprotective activities; structure in first sourcelignan
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
bms 599626
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
acetyl-histidyl-phenylalanyl-arginyl-tryptophanamide
ly 338522LY 338522: des-methyl metabolite of LY333531; 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
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-oneextended flavonoid
ac-his-dphe-arg-trp-nh2
azd 7762aromatic amide;
thiophenes
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
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
mp470N-arylpiperazine
rgb 286638
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
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
danusertibpiperazines
psn 632408PSN 632408: a GPR119 agonist; structure in first source
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamidebenzamides
10-isobutyryloxy-8,9-epoxythymol isobutyrate10-isobutyryloxy-8,9-epoxythymol isobutyrate: structure in first sourcebenzoate ester;
phenols
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
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
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
gw9508GW9508: structure in first sourcearomatic amine
cc-930
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
osi 906cyclobutanes;
quinolines
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
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
2-(4-butan-2-ylanilino)-3-pyridinecarbonitrilealkylbenzene
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
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
rm-493setmelanotide: an anti-obesity agent
4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] estermethoxybenzoic acid
chlorhexidine hydrochloride
hypocrellin ahypocrellin A: isolated from fungus Hypocrella bambusae sacc
malyngamide Adicarboximidemetabolite
3,6-diamino-10-methylacridinium chloride hydrochloride3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride.hydrochlorideantibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator
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
nvp-tae684piperidines
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
e 7050aromatic ether
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
alpha-mshpeptide hormoneanti-inflammatory agent
msh, 4-nle-7-phe-alpha-polypeptidedermatologic drug
2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenolaromatic amine
(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester1-benzothiophenes
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) esterleucine derivative
(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamidebenzyl alcohols
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
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
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
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
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
(3S,4aR,6aR,6bR,8aS,11S,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-dioltriterpenoid
3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamidequinazolines
(2R,4S)-6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diolbenzyl ether
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanonediarylmethane
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanonemethoxybenzenes;
phenols
(3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-onepyrrolidines
azd5438sulfonamide
2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acidphthalimides
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
6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinaminequinazolines
amorfrutin aamorfrutin A: an antidiabetic agent that inhibits NF-kappaB activation; structure in first sourcestilbenoid
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamidebenzothiazoles
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
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
kx-01
4'-epichaetoviridin A4'-epichaetoviridin A : An azaphilone that is the 4'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum.azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol
Chaetomium metabolite
meclofenamate sodium anhydroussodium meclofenamate monohydrate : A hydrate that is the monohydrate of the sodium salt of meclofenamic acid. It is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.hydrateanalgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
cefmetazole sodiumcefmetazole sodium : An organic sodium salt that is the sodium salt of cefmetazole.organic sodium saltantimicrobial agent
cyclic amp, monosodium salt
cefamandole nafatecefamandole sodium : An organic sodium salt that is the sodium salt of cefamandole.organic sodium saltantibacterial drug
acid blue 129
leu-ser-glu-ala-leuLeu-Ser-Glu-Ala-Leu: a putative calpastatin mimetic
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-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl esterquinazolines
mk 5108aromatic ether
cx 4945
cudc 1017-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source
arry-614pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein
tak 593TAK 593: structure in first source
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
[5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl]-(3-propoxy-1-piperidinyl)methanoneN-acylpiperidine
N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamidebenzofurans
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
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamidepiperidines
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
tak-875biphenyls
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
at13148
ar 231453
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
(1S,2R,4As,9aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-6-(hydroxymethyl)-1,2-dimethyl-3,4a,5,8,9,9a-hexahydro-2H-benzo[7]annulen-4-onealiphatic alcohol
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
gsk1292263
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
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
LSM-1873organic heterotricyclic compound;
organooxygen compound
LSM-1315organic heterotricyclic compound;
organooxygen compound
defactinib
ly2584702
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
pf 3758309PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first sourceorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0980
azd2014vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first sourcebenzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
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
2-(trifluoromethylsulfonyl)-6,11-dihydro-5H-dibenzo[1,3-e-1',2'-f][7]annulen-11-olorganic tricyclic compound
5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
bay 869766
as 703026pyridinecarboxamide
4-[[[(2S,3S)-10-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acidbenzoic acids
1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]ureasulfonamide
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
2-[[1-[(3-bromophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamideindoles
N-[(5-bromo-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamidehydroxyquinoline
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
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
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
5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-furancarboxamidearomatic amide;
furans
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamidearomatic amide;
furans
(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-3-piperidinyl]methanonearomatic ketone
ribociclibribociclib: inhibits both CDK4 and CDK6
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
pha 793887piperidinecarboxamide
sb 1518
abemaciclib
mk-8776
afuresertibamphetamines
amg-837AMG-837: GPR40 agonist
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
jnj38877605quinolines
dinaciclibpyrazolopyrimidine
tug-469TUG-469: a GPR40 agonist with antidiabetic activity; 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
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
gsk2141795GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source
sphaeropsidin asphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first sourcegamma-lactonemetabolite
azd8186
lfm a13LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties.aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
1-ethyl-4-hydroxy-2-oxo-N'-(1-oxodecyl)-3-quinolinecarbohydrazidearomatic amide;
quinolines
byl719proline derivative
ogerinogerin: a GPR68 modulator; structure in first source
cep-32496agerafenib: inhibitor of RAF family kinases; 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
tug-891GPU-028: structure in first source
am 1638
azd1208
vx-509
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
volitinib
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
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
8-bromocyclic gmp, sodium saltsodium 8-bromo-3',5'-cyclic GMP : An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.organic sodium saltmuscle relaxant;
protein kinase G agonist
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.
galloflavingalloflavin: structure in first source
hydrazinocurcuminhydrazinocurcumin : A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine.

hydrazinocurcumin: structure in first source
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
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
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acidbenzoic acids