| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetylcarnitine
Acetylcarnitine: An acetic acid ester of CARNITINE that facilitates movement of ACETYL COA into the matrices of mammalian MITOCHONDRIA during the oxidation of FATTY ACIDS. | 3.61 | 2 | 0 | O-acylcarnitine | human metabolite |
choline
[no description available] | 2.03 | 1 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
hydrogen sulfide
Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety. | 2.6 | 1 | 0 | gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride | Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent |
lactic acid
Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. | 2.11 | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
dimethyl sulfoxide
Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 2.01 | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | 2.78 | 3 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
b 844-39
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
pk 11195
PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine | 3.07 | 4 | 0 | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent |
1-anilino-8-naphthalenesulfonate
1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 2.08 | 1 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
pd 173074
[no description available] | 2.08 | 1 | 0 | aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist |
gw 2433
GW 2433: binds peroxisome proliferator-activated receptor alpha (PPARalpha); structure in first source | 2.44 | 2 | 0 | | |
jtv519
[no description available] | 2.89 | 3 | 0 | | |
abt 702
[no description available] | 2.08 | 1 | 0 | bipyridines | |
acetohexamide
Acetohexamide: A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide.. acetohexamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group. | 2.06 | 1 | 0 | acetophenones;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
alprazolam
Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug. | 2.89 | 3 | 0 | organochlorine compound;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic |
dan 2163
[no description available] | 2.89 | 3 | 0 | aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone | environmental contaminant;
second generation antipsychotic;
xenobiotic |
amlexanox
amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. | 2.89 | 3 | 0 | monocarboxylic acid;
pyridochromene | anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug |
aspirin
Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. | 2.41 | 1 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
astemizole
Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. | 2.89 | 3 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
2,2-bis(4-glycidyloxyphenyl)propane
2,2-bis(4-glycidyloxyphenyl)propane: structure | 2.02 | 1 | 0 | diarylmethane | |
benzbromarone
Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. | 2.89 | 3 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
bicalutamide
bicalutamide: approved for treatment of advanced prostate cancer. N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.. bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism. | 2.08 | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | |
bisindolylmaleimide i
bisindolylmaleimide I: a bis(indolyl)maleimide | 2.89 | 3 | 0 | | |
bufexamac
Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.. bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties. | 2.89 | 3 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
bumetanide
[no description available] | 2.06 | 1 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
cadralazine
cadralazine: structure given in first source | 2.89 | 3 | 0 | organic molecular entity | |
caffeine
[no description available] | 2.15 | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
verapamil
Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. | 2.08 | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
carvedilol
[no description available] | 2.63 | 2 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
celecoxib
[no description available] | 2.08 | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
cetirizine
Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. | 2.63 | 2 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
chelerythrine
chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. | 2.08 | 1 | 0 | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
chlorambucil
Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. | 2.06 | 1 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
chlorcyclizine
chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness | 2.89 | 3 | 0 | diarylmethane | |
ci 994
tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells. tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. | 2.89 | 3 | 0 | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
ciglitazone
ciglitazone: structure given in second source; PPAR agonist used for type II diabetes. ciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist. | 2.96 | 4 | 0 | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug |
clofibric acid
Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE.. clofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. | 2.03 | 1 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist |
cyclosporine
cyclosporin A : A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle. | 2.59 | 2 | 0 | | |
ether
Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 2.06 | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
etodolac
Etodolac: A non-steroidal anti-inflammatory agent and cyclooxygenase-2 (COX-2) inhibitor with potent analgesic and anti-arthritic properties. It has been shown to be effective in the treatment of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; ANKYLOSING SPONDYLITIS; and in the alleviation of postoperative pain (PAIN, POSTOPERATIVE).. etodolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active. | 2.06 | 1 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
fenbendazole
Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.. fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. | 2.89 | 3 | 0 | aryl sulfide;
benzimidazoles;
carbamate ester | antinematodal drug |
fenofibrate
Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | 4.43 | 6 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
berotek
Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction. | 2.15 | 1 | 0 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
furosemide
Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure. | 2.48 | 2 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
gemfibrozil
[no description available] | 2.05 | 1 | 0 | aromatic ether | antilipemic drug |
glipizide
Glipizide: An oral hypoglycemic agent which is rapidly absorbed and completely metabolized.. glipizide : An N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus. | 2.06 | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue |
glyburide
Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide. glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group. | 3.09 | 4 | 0 | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent |
go 6976
[no description available] | 2.89 | 3 | 0 | indolocarbazole;
organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
gossypol
Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. | 2.08 | 1 | 0 | | |
fasudil
fasudil: intracellular calcium antagonist; structure in first source. fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia. | 2.08 | 1 | 0 | isoquinolines;
N-sulfonyldiazepane | antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent |
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 2.89 | 3 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
homochlorocyclizine
homochlorocyclizine: RN given refers to parent cpd | 2.89 | 3 | 0 | diarylmethane | |
hydroxyzine
Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. | 2.89 | 3 | 0 | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist |
hypericin
[no description available] | 2.21 | 1 | 0 | | |
ifenprodil
ifenprodil: NMDA receptor antagonist | 2.89 | 3 | 0 | piperidines | |
indirubin-3'-monoxime
indirubin-3'-monoxime: has antiangiogenic activity. indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. | 2.08 | 1 | 0 | | |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 2.74 | 3 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
avapro
Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.. irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. | 2.06 | 1 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
1-methyl-3-isobutylxanthine
1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively. | 2.15 | 1 | 0 | 3-isobutyl-1-methylxanthine | |
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone
ZM39923: structure in first source | 2.89 | 3 | 0 | naphthalenes | |
ketamine
Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. | 2.89 | 3 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
ketoprofen
Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. | 2.89 | 3 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
ketorolac
Ketorolac: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed). ketorolac : A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure.. 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid : A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively. | 2.06 | 1 | 0 | amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate | analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
leflunomide
Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide. | 2.08 | 1 | 0 | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor |
letrozole
[no description available] | 2.08 | 1 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
lg 100268
LG 100268: a retinoid X receptor (RXR) selective compound; structure given in first source | 2.08 | 1 | 0 | | |
losartan
Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position | 2.06 | 1 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. | 2.89 | 3 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
mephenesin
Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage. | 2.89 | 3 | 0 | aromatic ether;
glycerol ether | |
metformin
Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. | 2.53 | 2 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
mitoxantrone
Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. | 2.08 | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
entinostat
[no description available] | 2.08 | 1 | 0 | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
niclosamide
Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. | 2.89 | 3 | 0 | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor |
olprinone
olprinone: RN refers to HCl; structure given in first source | 2.08 | 1 | 0 | bipyridines | |
omeprazole
Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5. | 2.08 | 1 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
oxaprozin
Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis. | 2.06 | 1 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
oxibendazole
oxibendazole: structure | 2.89 | 3 | 0 | benzimidazoles;
carbamate ester | |
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine
4-(2'-methoxyphenyl)-1-(2'-(N-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine: a 5-HT(1A) ligand; structure in first source | 2.89 | 3 | 0 | | |
pd 98059
2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source. 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. | 2.02 | 1 | 0 | aromatic amine;
monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector |
perphenazine
Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10. | 2.89 | 3 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
pimobendan
pimobendan: produces arterial & venous dilatation in dogs; structure given in first source | 2.89 | 3 | 0 | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
pioglitazone
Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity. | 3.41 | 6 | 0 | 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 |
ag 1879
3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | 2.89 | 3 | 0 | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
[no description available] | 2.83 | 3 | 0 | indoles | |
riluzole
Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS. | 2.08 | 1 | 0 | benzothiazoles | |
ro 31-8220
Ro 31-8220: a protein kinase C inhibitor | 2.89 | 3 | 0 | imidothiocarbamic ester;
indoles;
maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
ropinirole
[no description available] | 2.89 | 3 | 0 | indolones;
tertiary amine | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist |
safrole
Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. | 2.08 | 1 | 0 | benzodioxoles | flavouring agent;
insecticide;
metabolite;
plant metabolite |
sb 206553
SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first source | 2.08 | 1 | 0 | pyrroloindole | |
sb 220025
SB 220025: inhibits p38 mitogen-activated protein kinase; structure in first source. SB220025 : Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively. | 2.08 | 1 | 0 | aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines | angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sb 202190
4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | 2.08 | 1 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sk&f 86002
6-(4-fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole: inhibits p38 MAP kinase | 2.08 | 1 | 0 | imidazoles | |
imatinib
[no description available] | 2.08 | 1 | 0 | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
vorinostat
Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). | 3.07 | 4 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfamethizole
Sulfamethizole: A sulfathiazole antibacterial agent.. sulfamethizole : A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2. | 2.06 | 1 | 0 | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfasalazine
Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. | 2.08 | 1 | 0 | | |
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
[no description available] | 2.08 | 1 | 0 | stilbenoid | |
tolazamide
Tolazamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE.. tolazamide : An N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus. | 2.06 | 1 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
tolmetin
Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN.. tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. | 2.06 | 1 | 0 | aromatic ketone;
monocarboxylic acid;
pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
[no description available] | 2.59 | 2 | 0 | stilbenoid | |
trifluperidol
Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621) | 2.15 | 1 | 0 | aromatic ketone | |
trigonelline
trigonelline: in hydra among other organisms; RN given refers to hydroxide inner salt; structure. N-methylnicotinic acid : A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.. N-methylnicotinate : An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. | 2.11 | 1 | 0 | alkaloid;
iminium betaine | food component;
human urinary metabolite;
plant metabolite |
troglitazone
Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity. | 3.2 | 5 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
pirinixic acid
pirinixic acid: structure | 4.67 | 10 | 0 | aryl sulfide;
organochlorine compound;
pyrimidines | |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. | 2.89 | 3 | 0 | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
zotepine
zotepine: structure | 2.89 | 3 | 0 | dibenzothiepine;
tertiary amino compound | alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug |
thymidine
[no description available] | 2.03 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
3,3',5-triiodothyroacetic acid
tiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome. | 2.25 | 1 | 0 | | |
aldosterone
[no description available] | 2.1 | 1 | 0 | 11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde | human metabolite;
mouse metabolite |
triiodothyronine
Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. | 2.48 | 2 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
carbon tetrachloride
Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 2.07 | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
serine
Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. | 2.07 | 1 | 0 | L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
glutamine
Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. | 2.21 | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
tyrosine
Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. | 2.99 | 4 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
methionine
Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. | 2.03 | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid | antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
colchicine
(S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | 2.89 | 3 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
benziodarone
benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74) | 2.89 | 3 | 0 | aromatic ketone | |
cyclizine
Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group. | 2.21 | 1 | 0 | N-alkylpiperazine | antiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic |
rotenone
Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. | 2.13 | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
trehalose
alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. | 2.89 | 3 | 0 | trehalose | Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
triclocarban
triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. | 2.89 | 3 | 0 | dichlorobenzene;
monochlorobenzenes;
phenylureas | antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic |
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 4.72 | 8 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
sulfoxide
sulfoxide: synergistic insecticide for use with pyrethrum, allethrin, rotenone, ryania, etc.; RN given refers to parent cpd; structure. sulfoxide : An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). | 2.08 | 1 | 0 | benzodioxoles | |
4-tert-octylphenol
4-tert-octylphenol: structure given in first source | 2.89 | 3 | 0 | alkylbenzene | |
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 3.21 | 1 | 0 | catechin | antioxidant;
plant metabolite |
perylene
Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings. | 2.21 | 1 | 0 | ortho- and peri-fused polycyclic arene;
perylenes | |
quinazolines
Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. | 2.03 | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | |
oxazoles
Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 2.99 | 4 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
thiazoles
[no description available] | 15.2 | 224 | 5 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
ethamivan
ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. | 2.89 | 3 | 0 | methoxybenzenes;
phenols | |
azacitidine
Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia. | 2.08 | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
aminoimidazole carboxamide
Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.. 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. | 6.24 | 10 | 0 | aminoimidazole;
monocarboxylic acid amide | mouse metabolite |
methysergide
Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches. | 2.89 | 3 | 0 | ergoline alkaloid | |
emetine
Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. | 2.89 | 3 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
podophyllotoxin
Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | 3.07 | 4 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
dihydrotestosterone
Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. | 2.1 | 1 | 0 | 17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
formestane
[no description available] | 2.08 | 1 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
hydroxychloroquine sulfate
[no description available] | 2.08 | 1 | 0 | | |
etonitazene
etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals | 2.89 | 3 | 0 | | |
amiloride hydrochloride, anhydrous
amiloride hydrochloride : A hydrochloride obtained by combining amiloride with one molar equivalent of hydrochloric acid. | 2.08 | 1 | 0 | hydrochloride | diuretic;
sodium channel blocker |
clothiapine
clothiapine: was heading 1975-94 (was see under DIBENZOTHIAZEPINES 1975-90); CLOTIAPINE was see CLOTHIAPINE 1978-94; use DIBENZOTHIAZEPINES to search CLOTHIAPINE 1975-94; antipsychotic similar to clozapine | 2.89 | 3 | 0 | dibenzothiazepine | |
benperidol
Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567) | 2.89 | 3 | 0 | aromatic ketone | |
7-hydroxychlorpromazine
7-hydroxychlorpromazine: RN given refers to parent cpd | 2.89 | 3 | 0 | phenothiazines | |
acadesine
[no description available] | 2.08 | 1 | 0 | 1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue | antineoplastic agent;
platelet aggregation inhibitor |
cladribine
[no description available] | 2.08 | 1 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
palladium
Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 2.03 | 1 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.89 | 3 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
sodium hydride
[no description available] | 2.07 | 1 | 0 | | |
stanozolol
Stanozolol: A synthetic steroid that has anabolic and androgenic properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1194). stanozolol : An organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes. | 2.31 | 1 | 0 | 17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol | anabolic agent;
androgen |
ethionine
L-ethionine : An S-ethylhomocysteine that has S-configuration at the chiral centre. | 2.02 | 1 | 0 | S-ethylhomocysteine | antimetabolite;
carcinogenic agent |
thenalidine
thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure | 2.89 | 3 | 0 | dialkylarylamine;
tertiary amino compound | |
bromocriptine
Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion. | 2.89 | 3 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 3.87 | 3 | 0 | benzenes;
phenyl acetates | |
glutamic acid
Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. | 2.17 | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
dexchlorpheniramine
dexchlorpheniramine: RN given refers to parent cpd(S)-isomer | 2.89 | 3 | 0 | chlorphenamine | |
dv 1006
[no description available] | 2.89 | 3 | 0 | | |
zidovudine
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.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. | 2.08 | 1 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
climbazole
1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3. | 2.89 | 3 | 0 | aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes | |
bezafibrate
[no description available] | 3.16 | 5 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
lonidamine
lonidamine: structure. lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively. | 2.08 | 1 | 0 | dichlorobenzene;
indazoles;
monocarboxylic acid | antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector |
ng-nitroarginine methyl ester
NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension. | 2.07 | 1 | 0 | alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
triadimenol
triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. | 2.89 | 3 | 0 | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite |
colforsin
Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. | 2.21 | 1 | 0 | acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol | adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist |
amonafide
xanafide: salt formulation of amonafide; DNA-intercalating agent and topoisomerase II inhibitor | 2.89 | 3 | 0 | isoquinolines | |
flupirtine
flupirtine: RN given refers to parent cpd without isomeric designation | 2.89 | 3 | 0 | aminopyridine | |
chaetochromin
chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | 2.89 | 3 | 0 | | |
enoximone
Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE. | 2.89 | 3 | 0 | aromatic ketone | |
simvastatin
Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug. | 2.08 | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
itraconazole
Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis. | 2.08 | 1 | 0 | aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor |
pravadoline
[no description available] | 2.08 | 1 | 0 | | |
thiophenoxyacetic acid
thiophenoxyacetic acid: structure | 2.05 | 1 | 0 | | |
zileuton
[no description available] | 2.08 | 1 | 0 | 1-benzothiophenes;
ureas | anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug |
niguldipine
[no description available] | 2.08 | 1 | 0 | diarylmethane | |
topotecan
Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks. | 2.08 | 1 | 0 | pyranoindolizinoquinoline | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
eliprodil
1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4. | 2.08 | 1 | 0 | monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound | |
gemcitabine
gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. | 2.08 | 1 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
aripiprazole
Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. | 2.89 | 3 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist |
verapamil hydrochloride
verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride. | 2.08 | 1 | 0 | | |
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
[no description available] | 2.1 | 1 | 0 | stilbenoid | |
efavirenz
efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. | 2.08 | 1 | 0 | acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
fenofibric acid
fenofibric acid: RN given refers to parent cpd without isomeric designation; structure. fenofibric acid : A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. | 4.07 | 4 | 0 | aromatic ketone;
chlorobenzophenone;
monocarboxylic acid | drug metabolite;
marine xenobiotic metabolite |
aica ribonucleotide
AICA ribonucleotide: purine precursor that has antineoplastic activity. AICA ribonucleotide : A 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative. | 6.24 | 10 | 0 | 1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole | cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
bendamustine
[no description available] | 2.08 | 1 | 0 | benzimidazoles | |
aloxistatin
aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide. | 2.21 | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
caroverine
caroverine: structure | 2.08 | 1 | 0 | quinoxaline derivative | |
indocate
[no description available] | 2.89 | 3 | 0 | | |
cgs 9343b
[no description available] | 2.08 | 1 | 0 | benzimidazoles | |
repaglinide
[no description available] | 2.06 | 1 | 0 | piperidines | |
telmisartan
Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.. telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension. | 2.08 | 1 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
2-methoxyestradiol
2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. | 2.08 | 1 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite |
N(4)-acetylsulfathiazole
N(4)-acetylsulfathiazole : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole. | 2.89 | 3 | 0 | 1,3-thiazoles;
acetamides;
sulfonamide | marine xenobiotic metabolite |
triazoles
Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. | 3.85 | 3 | 0 | 1,2,3-triazole | |
cyclizine hydrochloride
[no description available] | 2.59 | 2 | 0 | | |
2,3-trimethylene-4-quinazolone
2,3-trimethylene-4-quinazolone: structure in first source | 2.89 | 3 | 0 | quinazolines | |
2,6-dihydroxyacetophenone
2,6-dihydroxyacetophenone: inhibits aminopyrine-N-demethylase in rat liver microsomal preparations | 2.41 | 1 | 0 | aromatic ketone | |
1,3-dimethyluric acid
1,3-dimethyluric acid : An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. | 2.89 | 3 | 0 | oxopurine | metabolite |
danofloxacin
[no description available] | 2.89 | 3 | 0 | quinolines | |
nitrefazole
[no description available] | 2.89 | 3 | 0 | imidazoles | |
alacepril
[no description available] | 2.08 | 1 | 0 | dipeptide;
thioacetate ester | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
ubenimex
ubenimex: growth inhibitor | 2.08 | 1 | 0 | | |
methotrimeprazine
Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively. | 2.89 | 3 | 0 | phenothiazines;
tertiary amine | anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist |
honokiol
[no description available] | 2.89 | 3 | 0 | biphenyls | |
9-methoxyellipticine
9-methoxyellipticine: RN given refers to parent cpd | 2.89 | 3 | 0 | | |
3-aminophenoxazone
3-aminophenoxazone: also inhibits sulfatase; structure | 2.89 | 3 | 0 | phenoxazine | |
3-deazaneplanocin
3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist | 2.89 | 3 | 0 | | |
tryptanthrine
tryptanthrine: minor constituent of traditional Chinese medicine qing dai | 2.89 | 3 | 0 | alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
2-chlorodiazepam
[no description available] | 2.89 | 3 | 0 | | |
Polycartine B
[no description available] | 2.89 | 3 | 0 | phenazines | |
rosiglitazone
[no description available] | 5.58 | 26 | 0 | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug |
aminoquinuride dihydrochloride
[no description available] | 2.89 | 3 | 0 | | |
bexarotene
[no description available] | 2.53 | 2 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent |
thioproperazine mesylate
[no description available] | 2.89 | 3 | 0 | phenothiazines | |
n(6)-(delta(2)-isopentenyl)adenine
N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group. | 2.89 | 3 | 0 | 6-isopentenylaminopurine | cytokinin |
4-methyl-N-(phenylmethyl)benzenesulfonamide
[no description available] | 2.89 | 3 | 0 | sulfonamide | |
zpck
ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | 2.63 | 2 | 0 | | |
sr141716
[no description available] | 2.89 | 3 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
vinpocetine
[no description available] | 2.08 | 1 | 0 | | |
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
[no description available] | 2.59 | 2 | 0 | aromatic ketone | |
deguelin
deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source. deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. | 2.08 | 1 | 0 | aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite |
fingolimod
fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. | 2.89 | 3 | 0 | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist |
triptolide
[no description available] | 2.08 | 1 | 0 | diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound | antispermatogenic agent;
plant metabolite |
tesmilifene
[no description available] | 2.89 | 3 | 0 | diarylmethane | |
sr 48692
SR 48692: structure in first source; a neurotensin receptor-1 antagonist | 2.08 | 1 | 0 | N-acyl-amino acid | |
elacridar
Elacridar: inhibitor of MDR1 PROTEIN; structure given in first source | 2.08 | 1 | 0 | | |
sr 27897
SR 27897: structure given in first source; a CCK(A) receptor antagonist | 2.89 | 3 | 0 | indolyl carboxylic acid | |
gefitinib
[no description available] | 2.08 | 1 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer) | 2.89 | 3 | 0 | leucine derivative | |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine
N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist. 3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. | 2.59 | 2 | 0 | adenosines;
monocarboxylic acid amide;
organoiodine compound | adenosine A3 receptor agonist |
bay x 1005
2-(4-(quinolin-2-yl-methoxy)phenyl)-2-cyclopentylacetic acid: inhibits synthesis of leukotriene B4 and 5-hydroxyeicosatetraenoic acid; inhibits five-lipoxygenase activating protein(FLAP)and leukotriene A4 hydrolase(LTA4H); structure given in first source; | 2.08 | 1 | 0 | | |
norketamine
norketamine: metabolite of ketamine; RN given refers to cpd without isomeric designation | 2.89 | 3 | 0 | organochlorine compound | |
2-chloro-n(6)cyclopentyladenosine
2-chloro-N(6)cyclopentyladenosine: highly selective agonist at A1 adenosine receptors | 2.15 | 1 | 0 | | |
ramatroban
[no description available] | 2.06 | 1 | 0 | organic molecular entity | |
indatraline
indatraline: RN given for (trans)-isomer; structure in first source | 2.63 | 2 | 0 | indanes | |
gyki 53655
GYKI 53655: an AMPA (alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate) receptor antagonist | 2.08 | 1 | 0 | | |
methotrexate
[no description available] | 2.89 | 3 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
salvinorin a
salvinorin A: from the herb, Salvia divinorum | 2.21 | 1 | 0 | organic heterotricyclic compound;
organooxygen compound | metabolite;
oneirogen |
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide
4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol | 2.89 | 3 | 0 | | |
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis | 2.89 | 3 | 0 | phenylindole | |
ml-3000
[no description available] | 2.08 | 1 | 0 | | |
l 741626
3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source | 2.89 | 3 | 0 | piperidines | |
cd 437
CD 437: selective for retinoic acid receptors gamma. CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells. | 2.08 | 1 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols | apoptosis inducer;
retinoic acid receptor gamma agonist |
agn 190299
AGN 190299: a metabolite of the synthetic retinoid AGN 190168; structure given in first source. tazarotenic acid : A thiochromane that is acetylene in which the hydrogens are replaced by 5-carboxypyridin-2-yl and 4,4-dimethylthiochroman-6-yl groups. It is the active form of the prodrug tazarotene. | 2.25 | 1 | 0 | monocarboxylic acid;
pyridines;
retinoid;
thiochromane | keratolytic drug;
teratogenic agent |
docetaxel anhydrous
Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. | 2.08 | 1 | 0 | secondary alpha-hydroxy ketone;
tetracyclic diterpenoid | antimalarial;
antineoplastic agent;
photosensitizing agent |
perifosine
[no description available] | 2.08 | 1 | 0 | ammonium betaine;
phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
dx 8951
[no description available] | 2.89 | 3 | 0 | pyranoindolizinoquinoline | |
mk 767
5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide: an antihyperlipidemic agent that also functions as an insulin sensitizer, PPARalpha agonist, and PPARgamma agonist; structure in first source | 2.48 | 2 | 0 | | |
ruboxistaurin
ruboxistaurin: inhibits protein kinase C beta; structure in first source | 2.07 | 1 | 0 | | |
bazedoxifene acetate
[no description available] | 2.08 | 1 | 0 | | |
canertinib
[no description available] | 2.08 | 1 | 0 | monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
birb 796
[no description available] | 2.08 | 1 | 0 | aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator |
tipifarnib
[no description available] | 3.07 | 4 | 0 | imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
cyc 202
seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. | 3.07 | 4 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
cannabidiolic acid
cannabidiolic acid: structure. cannabidiolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group. | 2.25 | 1 | 0 | dihydroxybenzoic acid;
phytocannabinoid;
polyketide;
resorcinols | |
avasimibe
[no description available] | 2.89 | 3 | 0 | monoterpenoid | |
angiotensin ii
Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V). | 3.18 | 5 | 0 | amino acid zwitterion;
angiotensin II | human metabolite |
sb 203580
[no description available] | 2.45 | 2 | 0 | imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent |
enzastaurin
[no description available] | 2.08 | 1 | 0 | indoles;
maleimides | |
erlotinib
[no description available] | 2.08 | 1 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
piboserod
Serotonin 5-HT4 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT4 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN RECEPTOR AGONISTS. | 2.08 | 1 | 0 | | |
l 163191
[no description available] | 3.07 | 4 | 0 | | |
dizocilpine
[no description available] | 2.89 | 3 | 0 | secondary amino compound;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist |
bd 1047
N-(2-(3,4-Dichlorphenyl)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin: sigma receptor ligand; putative sigma receptor antagonist with antidystonic activity | 2.08 | 1 | 0 | primary amine | |
s-benzylcysteine
[no description available] | 2.89 | 3 | 0 | S-aryl-L-cysteine zwitterion | |
chelidonine
chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer) | 2.89 | 3 | 0 | alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid | |
tesaglitazar
tesaglitazar: structure in first source | 3.18 | 5 | 0 | | |
lapatinib
[no description available] | 3.07 | 4 | 0 | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
sorafenib
[no description available] | 2.08 | 1 | 0 | (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 |
lenalidomide
[no description available] | 2.08 | 1 | 0 | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator |
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
[no description available] | 2.08 | 1 | 0 | aminoquinoline | |
roxindole
[no description available] | 2.89 | 3 | 0 | indoles | alpha-adrenergic antagonist;
serotonergic drug |
sr 142806
[no description available] | 2.08 | 1 | 0 | | |
conidendrin
[no description available] | 2.89 | 3 | 0 | | |
Porfiromycine
[no description available] | 2.89 | 3 | 0 | mitomycin | |
nsc 95397
[no description available] | 2.89 | 3 | 0 | 1,4-naphthoquinones | |
4-methyl-2-quinazolinamine
4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source | 2.89 | 3 | 0 | | |
2-glycineamide-5-chlorophenyl-2-pyrryl ketone
[no description available] | 2.89 | 3 | 0 | | |
elesclomol
[no description available] | 2.08 | 1 | 0 | carbohydrazide;
thiocarbonyl compound | antineoplastic agent;
apoptosis inducer |
wortmannin
[no description available] | 2.02 | 1 | 0 | acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound | anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent |
niguldipine hydrochloride
[no description available] | 2.63 | 2 | 0 | | |
2,5-bis(5-hydroxymethyl-2-thienyl)furan
[no description available] | 2.89 | 3 | 0 | thiophenes | |
nsc 663284
NSC 663284: structure in first source | 2.08 | 1 | 0 | quinolone | |
bortezomib
[no description available] | 2.08 | 1 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
ritonavir
Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. | 2.89 | 3 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
bardoxolone methyl
methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source | 2.53 | 2 | 0 | cyclohexenones | |
nsc 23766
[no description available] | 2.08 | 1 | 0 | aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound | antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist |
Destruxin B
[no description available] | 2.89 | 3 | 0 | cyclodepsipeptide | |
glycogen
glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues. | 2.03 | 1 | 0 | | |
elastin
[no description available] | 2.1 | 1 | 0 | oligopeptide | |
tosylphenylalanyl chloromethyl ketone
Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. | 2.89 | 3 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
ryanodine
Ryanodine: A methylpyrrole-carboxylate from RYANIA that disrupts the RYANODINE RECEPTOR CALCIUM RELEASE CHANNEL to modify CALCIUM release from SARCOPLASMIC RETICULUM resulting in alteration of MUSCLE CONTRACTION. It was previously used in INSECTICIDES. It is used experimentally in conjunction with THAPSIGARGIN and other inhibitors of CALCIUM ATPASE uptake of calcium into SARCOPLASMIC RETICULUM.. ryanodine : An insecticide alkaloid isolated from South American plant Ryania speciosa. | 2.05 | 1 | 0 | | |
trichostatin a
trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | 2.21 | 1 | 0 | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector |
tretinoin
Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. | 2.47 | 2 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
arachidonic acid
icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. | 2.05 | 1 | 0 | icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid | Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 3.21 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
oleic acid
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). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. | 2.99 | 4 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
cerivastatin
cerivastatin: cerivastatin is the ((E)-(+))-isomer; structure given in first source. cerivastatin : (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity. | 2.06 | 1 | 0 | dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic) | |
eicosapentaenoic acid
icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.. all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17. | 2.03 | 1 | 0 | icosapentaenoic acid;
omega-3 fatty acid | anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
sr 12813
SR 12813: structure given in first source. SR12813 : An organic phosphonate that is the tetraethyl ester of [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonic acid). | 2.1 | 1 | 0 | organic phosphonate;
phenols | pregnane X receptor agonist |
gw 6471
GW 6471: a PPARalpha antagonist; structure in first source | 2.25 | 1 | 0 | | |
drf 2725
ragaglitazar: a phenoxazine analogue of phenyl propanoic acid; Ragaglitazar is a coligand of PPARalpha and PPARgamma | 2.15 | 1 | 0 | | |
gw 3965
GW 3965: a liver X receptor ligand | 2.54 | 2 | 0 | diarylmethane | |
t0901317
T0901317: an LXRalpha and LXRbeta agonist | 2.1 | 1 | 0 | | |
y 27632
Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source. Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. | 2.08 | 1 | 0 | aromatic amide | |
adenosine-5'-(n-ethylcarboxamide)
Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group. | 2.15 | 1 | 0 | adenosines;
monocarboxylic acid amide | adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
prostaglandin d2
Prostaglandin D2: The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.. prostaglandin D2 : A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer). | 2.08 | 1 | 0 | prostaglandins D | human metabolite;
mouse metabolite |
6-bromoindirubin-3'-oxime
6-bromoindirubin-3'-oxime: structure in first source. 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. | 2.08 | 1 | 0 | | |
purvalanol b
purvalanol B: protein kinase inhibitor; structure in first source | 2.08 | 1 | 0 | purvalanol | protein kinase inhibitor |
y-700
[no description available] | 2.08 | 1 | 0 | | |
repsox
RepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrect | 2.08 | 1 | 0 | pyrazolopyridine | |
alitretinoin
Alitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA. | 2.58 | 2 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist |
dactinomycin
Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015) | 2.07 | 1 | 0 | actinomycin | mutagen |
sitafloxacin
[no description available] | 2.21 | 1 | 0 | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | |
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide
[no description available] | 2.08 | 1 | 0 | tropane alkaloid | |
2'-c-methylcytidine
2'-C-methylcytidine: structure in first source | 2.89 | 3 | 0 | | |
jp-1302
[no description available] | 2.89 | 3 | 0 | | |
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
[no description available] | 2.89 | 3 | 0 | benzodiazepine | |
tenatoprazole
Tenatoprazole: structure in first source | 2.89 | 3 | 0 | imidazopyridine | |
stilbenes
Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene. | 3.21 | 1 | 0 | stilbene | |
gw9662
2-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand binding | 2.98 | 4 | 0 | benzamides | |
s 1033
[no description available] | 3.07 | 4 | 0 | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
5-[(2-fluoroanilino)methyl]-8-quinolinol
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
benidipine hydrochloride
[no description available] | 2.59 | 2 | 0 | | |
benidipine
benidipine: RN refers to (R*,R*)-(+-)-isomer | 2.21 | 1 | 0 | | |
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
[no description available] | 2.89 | 3 | 0 | quinazolines | |
chlorprothixene
(E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration. | 2.89 | 3 | 0 | chlorprothixene | |
mercaptopurine
Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis. | 2.08 | 1 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
jrf 12
N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor | 2.89 | 3 | 0 | | |
rg108
RG108: DNA methyltransferase inhibitor; structure in first source | 2.08 | 1 | 0 | indolyl carboxylic acid | |
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
[no description available] | 2.89 | 3 | 0 | methoxybenzenes;
substituted aniline | |
stf 083010
[no description available] | 2.08 | 1 | 0 | | |
3-hydroxypyridine, sodium salt
[no description available] | 2.89 | 3 | 0 | | |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
[no description available] | 3.07 | 4 | 0 | naphthalenecarboxamide | |
5-[(2-bromoanilino)methyl]-8-quinolinol
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source | 2.89 | 3 | 0 | | |
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
[no description available] | 2.89 | 3 | 0 | aromatic amine | |
cct018159
CCT018159: structure in first source. CCT-018159 : A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively. | 2.08 | 1 | 0 | benzodioxine;
pyrazoles;
resorcinols | antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor |
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide
[no description available] | 2.89 | 3 | 0 | piperidinecarboxamide | |
secinh3
SecinH3: a small molecule antagonist of cytohesins; structure in first source | 2.08 | 1 | 0 | triazoles | |
jk184
JK184: structure in first source | 2.08 | 1 | 0 | | |
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
[no description available] | 2.89 | 3 | 0 | acetamides;
anilide | |
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
[no description available] | 2.89 | 3 | 0 | aromatic amide;
thiophenes | |
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone
[no description available] | 2.89 | 3 | 0 | dimethoxybenzene | |
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
[no description available] | 2.89 | 3 | 0 | aromatic amide | |
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
[no description available] | 2.89 | 3 | 0 | aromatic ether | |
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione
[no description available] | 2.89 | 3 | 0 | maleimides | |
Src Inhibitor-1
Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. | 2.89 | 3 | 0 | aromatic ether;
polyether;
quinazolines;
secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
[no description available] | 2.89 | 3 | 0 | dimethoxybenzene | |
enclomiphene
Enclomiphene: The trans or (E)-isomer of clomiphene. | 2.31 | 1 | 0 | | |
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
[no description available] | 2.89 | 3 | 0 | quinolines | |
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
[no description available] | 2.89 | 3 | 0 | pyrroles | |
D-fructopyranose
[no description available] | 2.52 | 2 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
tamoxifen citrate
[no description available] | 2.08 | 1 | 0 | citrate salt | angiogenesis inhibitor;
anticoronaviral agent |
hc-067047
HC-067047: a TRPA1 antagonist; structure in first source | 2.08 | 1 | 0 | | |
bi-78d3
[no description available] | 3.07 | 4 | 0 | aryl sulfide | |
t 0070907
T 0070907: a PPARgamma antagonist; structure in first source | 2.06 | 1 | 0 | carbonyl compound;
organohalogen compound | |
gsk 3787
[no description available] | 3.01 | 4 | 0 | | |
kartogenin
kartogenin: promotes chondrocyte differentiation; structure in first source | 2.89 | 3 | 0 | | |
methyl-thiohydantoin-tryptophan
methyl-thiohydantoin-tryptophan: structure in first source | 2.08 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester
[no description available] | 2.08 | 1 | 0 | monocarboxylic acid | |
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide
[no description available] | 2.08 | 1 | 0 | sulfonamide | |
LSM-1318
[no description available] | 2.08 | 1 | 0 | oxa-steroid | |
toremifene
Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. | 2.21 | 1 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
rwj 67657
RWJ 67657: inhibits p38 mitogen-activated protein kinase; structure in first source | 2.08 | 1 | 0 | | |
6-methyl-2-(phenylethynyl)pyridine
6-methyl-2-(phenylethynyl)pyridine: an mGlu5 antagonist. 2-methyl-6-(phenylethynyl)pyridine : A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw. | 2.08 | 1 | 0 | acetylenic compound;
methylpyridines | anxiolytic drug;
metabotropic glutamate receptor antagonist |
bms 387032
N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide: a CDK2 inhibitor with antineoplastic activity; structure in first source. N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties. | 2.08 | 1 | 0 | 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 |
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide
2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source | 2.59 | 2 | 0 | | |
tandutinib
[no description available] | 2.08 | 1 | 0 | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
vx-745
[no description available] | 3.07 | 4 | 0 | aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine | anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
corlanor
ivabradine hydrochloride : A hydrochloride obtained by combining ivabradine with one molar equivalent of hydrochloric acid. Used to treat patients with angina who have intolerance to beta blockers and/or heart failure. | 2.08 | 1 | 0 | hydrochloride | cardiotonic drug |
dasatinib
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. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). | 3.07 | 4 | 0 | 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 |
zd 6474
CH 331: structure in first source | 3.07 | 4 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine
2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine: A2 adenosine receptor agonist; structure given in first source. CGS-21680 : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. | 2.15 | 1 | 0 | adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid | adenosine A2A receptor agonist;
anti-inflammatory agent |
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
[no description available] | 2.63 | 2 | 0 | indoles | |
compound 968
compound 968: a glutaminase inhibitor. 5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one : A partially hydrogenated benzophenanthridine carrying an oxo group at C-4, geminal methyl groups at C-2 and a 3-bromo-4-(dimethylamino)phenyl group at C-5. | 2.08 | 1 | 0 | benzophenanthridine | EC 3.5.1.2 (glutaminase) inhibitor |
nih-12848
NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source | 2.89 | 3 | 0 | | |
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide
[no description available] | 2.89 | 3 | 0 | quinazolines | |
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
[no description available] | 2.89 | 3 | 0 | benzimidazoles | |
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile
[no description available] | 2.89 | 3 | 0 | imidazopyridine | |
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
[no description available] | 2.89 | 3 | 0 | aromatic ketone | |
sb-224289
SB 224289 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo. | 2.08 | 1 | 0 | 1,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound | serotonergic antagonist |
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
[no description available] | 2.89 | 3 | 0 | oxopurine | |
gw 7647
GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. | 4.07 | 13 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester
[no description available] | 2.89 | 3 | 0 | organonitrogen compound;
organosulfur compound | |
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide
[no description available] | 2.89 | 3 | 0 | quinolines | |
l 663536
MK-886: orally active leukotriene biosynthesis inhibitor. 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase. | 2.08 | 1 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
LSM-1924
[no description available] | 2.89 | 3 | 0 | organic heterotricyclic compound;
organooxygen compound | |
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
[no description available] | 2.08 | 1 | 0 | imidazoles | |
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine
[no description available] | 2.08 | 1 | 0 | aromatic amine;
tertiary amino compound | |
ferrostatin-1
ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source. ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals. | 2.89 | 3 | 0 | ethyl ester;
primary arylamine;
substituted aniline | antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger |
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester
[no description available] | 2.08 | 1 | 0 | isoquinolines | |
sch 79797
[no description available] | 2.08 | 1 | 0 | quinazolines | |
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine
[no description available] | 2.89 | 3 | 0 | C-nitro compound | |
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor | 2.08 | 1 | 0 | benzamides;
benzodioxoles;
imidazoles;
pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
rabeprazole(1-)
[no description available] | 2.63 | 2 | 0 | organic nitrogen anion | |
myelin basic protein
Myelin Basic Protein: An abundant cytosolic protein that plays a critical role in the structure of multilamellar myelin. Myelin basic protein binds to the cytosolic sides of myelin cell membranes and causes a tight adhesion between opposing cell membranes. | 2.05 | 1 | 0 | | |
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
[no description available] | 2.08 | 1 | 0 | monobactam | |
imd 0354
N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source | 2.08 | 1 | 0 | benzamides | |
ex 527
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. | 2.08 | 1 | 0 | carbazoles;
monocarboxylic acid amide;
organochlorine compound | |
ncgc00099374
[no description available] | 2.89 | 3 | 0 | | |
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
[no description available] | 2.89 | 3 | 0 | benzamides | |
quercetin
[no description available] | 2.08 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
dinoprostone
prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.72 | 3 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
luteolin
[no description available] | 2.89 | 3 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
cyclosporine
[no description available] | 2.21 | 1 | 0 | | |
cholecalciferol
Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. | 2.47 | 2 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
kaempferol
[no description available] | 2.89 | 3 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
genistein
[no description available] | 3.07 | 4 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
mycophenolate mofetil
mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases. | 2.89 | 3 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
bruceantin
[no description available] | 2.89 | 3 | 0 | triterpenoid | |
chrysin
chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 2.89 | 3 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
daidzein
[no description available] | 2.89 | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
neticonazole
neticonazole: RN refers to (E)-isomer. neticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections. | 2.89 | 3 | 0 | aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide | antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine
synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide). N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. | 2.89 | 3 | 0 | endocannabinoid;
N-acylethanolamine 22:6 | |
n-oleoylethanolamine
N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide. | 3.22 | 5 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist |
alpha-zearalenol
[no description available] | 2.89 | 3 | 0 | macrolide | |
fenretinide
Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.. 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids. | 2.08 | 1 | 0 | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant |
su 9516
[no description available] | 2.89 | 3 | 0 | | |
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid: RN refers to (E)-isomer; structure given in first source. arotinoid acid : A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR). | 2.1 | 1 | 0 | benzoic acids;
naphthalenes;
retinoid | antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent |
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
[no description available] | 2.89 | 3 | 0 | triazolopyrimidines | |
ter 199
[no description available] | 2.08 | 1 | 0 | | |
mre 3008-f20
MRE 3008-F20: InChIKey: CJRNHKSLHHWUAB-UHFFFAOYSA-N | 2.15 | 1 | 0 | | |
arachidonylcyclopropylamide
arachidonylcyclopropylamide: a potent and selective agonist of neuronal cannabinoid receptor; structure in first source | 2.08 | 1 | 0 | | |
sb 277011
SB 277011: structure in first source | 2.89 | 3 | 0 | | |
iloprost
Iloprost: An eicosanoid, derived from the cyclooxygenase pathway of arachidonic acid metabolism. It is a stable and synthetic analog of EPOPROSTENOL, but with a longer half-life than the parent compound. Its actions are similar to prostacyclin. Iloprost produces vasodilation and inhibits platelet aggregation.. iloprost : A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension. | 2.44 | 2 | 0 | carbobicyclic compound;
monocarboxylic acid;
secondary alcohol | platelet aggregation inhibitor;
vasodilator agent |
ly 320135
LY 320135: cannabinoid receptor antagonist; structure in first source | 2.08 | 1 | 0 | benzofurans | |
pd 166285
[no description available] | 2.08 | 1 | 0 | | |
sb 223412
SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source | 2.89 | 3 | 0 | | |
sr 59230a
[no description available] | 2.89 | 3 | 0 | tetralins | |
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide
[no description available] | 2.89 | 3 | 0 | pyrimidines | |
kn 62
KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II | 3.07 | 4 | 0 | piperazines | |
su 6656
SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source. SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase. | 2.08 | 1 | 0 | | |
MeJA
[no description available] | 2.89 | 3 | 0 | Jasmonate derivatives | |
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-: structure in first source | 2.89 | 3 | 0 | | |
pd 161570
PD 161570: structure in first source | 2.89 | 3 | 0 | | |
cb676475
CB676475: structure in first source | 2.03 | 1 | 0 | quinazolines | |
semaxinib
semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group. | 2.08 | 1 | 0 | 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 |
su 11248
[no description available] | 2.52 | 2 | 0 | monocarboxylic acid amide;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist |
palbociclib
[no description available] | 3.07 | 4 | 0 | aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
jnj-7706621
[no description available] | 3.07 | 4 | 0 | sulfonamide | |
benazepril
benazepril: structure given in first source. benazepril : A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure. | 2.06 | 1 | 0 | benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
ramipril
Ramipril: A long-acting angiotensin-converting enzyme inhibitor. It is a prodrug that is transformed in the liver to its active metabolite ramiprilat.. ramipril : A dipeptide that is the prodrug for ramiprilat, the active metabolite obtained by hydrolysis of the ethyl ester group. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure.. quark : Quarks comprise one of two classes of the fundamental particles. Quarks possess fractional electric charges and are not observed in free state. The word "quark" first appears in James Joyce's Finnegans Wake and has been chosen by Murray Gell-Mann as a name for fundamental building blocks of particles. | 2.06 | 1 | 0 | azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester | bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug |
virginiamycin factor s1
virginiamycin factor S1: a component of VIRGINIAMYCIN; was EP to VIRGINIAMYCIN 1992-2001. virginiamycin S1 : A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. | 2.89 | 3 | 0 | cyclodepsipeptide;
macrolide antibiotic | antibacterial drug;
bacterial metabolite |
enalapril
Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.. enalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration). | 2.06 | 1 | 0 | dicarboxylic acid monoester;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug |
cisplatin
[no description available] | 2.08 | 1 | 0 | diamminedichloroplatinum | antineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent |
vx680
[no description available] | 2.08 | 1 | 0 | N-arylpiperazine | |
fenoterol
fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction. | 2.63 | 2 | 0 | hydrobromide | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
xib 4035
XIB 4035: a GFRalpha-1 agonist; structure in first source | 2.89 | 3 | 0 | | |
gw-5074
[no description available] | 2.21 | 1 | 0 | | |
selenium
Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE. | 2.05 | 1 | 0 | chalcogen;
nonmetal atom | micronutrient |
d 4476
[no description available] | 2.08 | 1 | 0 | imidazoles | |
cyc 116
4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | 2.08 | 1 | 0 | | |
bay 19-8004
BAY 19-8004: a PDE4 inhibitor; structure in first source | 2.08 | 1 | 0 | | |
carboprostacyclin
carboprostacyclin: potent stable prostacyclin analog which inhibits platelet aggretation; do not confuse with carboprost (15-methyl-PGF2alpha); RN given refers to (3aS-(2Z,3aalpha,4alpha(1E,R*),5beta,6aalpha))-isomer; structure given in first source | 2.46 | 2 | 0 | prostanoid | |
involucrin
involucrin: soluble precursor protein of cross-linked envelope characteristic of epidermal s. corneum synthesized by keratinocytes in natural & cultured human epithelia; see also related records for prekeratin & stratum corneum basic protein precursor | 2.06 | 1 | 0 | | |
amorphastilbol
amorphastilbol: dual PPARalpha/gamma agonist from Amorpha species | 2.07 | 1 | 0 | | |
axitinib
[no description available] | 2.08 | 1 | 0 | aryl sulfide;
benzamides;
indazoles;
pyridines | antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist |
pai 039
tiplaxtinin: inhibitor of plasminogen activator inhibitor-1 | 2.08 | 1 | 0 | indole-3-acetic acids | |
belotecan
belotecan: structure in first source | 2.89 | 3 | 0 | pyranoindolizinoquinoline | |
gw 1929
GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first source | 3.18 | 4 | 0 | benzophenones | |
norgestimate
[no description available] | 2.89 | 3 | 0 | ketoxime;
steroid ester;
terminal acetylenic compound | contraceptive drug;
progestin;
synthetic oral contraceptive |
b 43
RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively). | 2.89 | 3 | 0 | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
gw2974
GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 | 2.08 | 1 | 0 | pyridopyrimidine | |
l-165041
4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function. | 4.77 | 9 | 0 | aromatic ketone | |
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine
[no description available] | 2.89 | 3 | 0 | | |
methiazole
methiazole: a parasitostatic agent | 2.89 | 3 | 0 | benzimidazoles;
carbamate ester | |
sb 218795
SB 218795: structure in first source | 2.89 | 3 | 0 | quinolines | |
bvt.948
[no description available] | 2.89 | 3 | 0 | | |
ispinesib
[no description available] | 2.08 | 1 | 0 | benzamides | |
fk 866
N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source | 2.21 | 1 | 0 | benzamides;
N-acylpiperidine | |
a 38503
[no description available] | 2.89 | 3 | 0 | | |
temsirolimus
[no description available] | 2.08 | 1 | 0 | macrolide lactam | |
pd 184352
2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source | 2.08 | 1 | 0 | aminobenzoic acid | |
bibx 1382bs
BIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001 | 2.08 | 1 | 0 | substituted aniline | |
hdac-42
HDAC-42: structure in first source | 2.08 | 1 | 0 | amidobenzoic acid | |
parthenolide
[no description available] | 2.58 | 2 | 0 | sesquiterpene lactone | drug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
krn 633
N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source | 2.89 | 3 | 0 | | |
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone
[no description available] | 2.08 | 1 | 0 | benzamides;
N-acylpiperidine | |
6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime
6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime: a constitutive androstane receptor agonist; structure in first source | 2.1 | 1 | 0 | | |
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid
[no description available] | 2.89 | 3 | 0 | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
iniparib
[no description available] | 2.08 | 1 | 0 | carbonyl compound;
organohalogen compound | |
gw 7604
GW 7604: structure in first source | 2.25 | 1 | 0 | | |
mk 0752
[no description available] | 2.08 | 1 | 0 | | |
av 412
[no description available] | 2.08 | 1 | 0 | | |
ag-041r
AG-041R: structure in first source | 2.08 | 1 | 0 | | |
telatinib
[no description available] | 2.08 | 1 | 0 | | |
dolastatin 10
dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization. | 2.89 | 3 | 0 | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent |
cp 547632
3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source | 2.08 | 1 | 0 | | |
spc-839
SPC-839: an inhibitor of activator protein 1; structure in first source | 3.07 | 4 | 0 | | |
lenvatinib
lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. | 2.08 | 1 | 0 | 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 |
andarine
[no description available] | 2.08 | 1 | 0 | acetamides;
anilide | |
gw843682x
[no description available] | 2.08 | 1 | 0 | (trifluoromethyl)benzenes | |
pd 0325901
mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor. PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). | 2.08 | 1 | 0 | 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 |
midostaurin
midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. | 3.07 | 4 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
ag 14361
[no description available] | 2.08 | 1 | 0 | benzimidazoles | |
etomoxir
[no description available] | 2.47 | 2 | 0 | aromatic ether | |
sb 265610
[no description available] | 2.08 | 1 | 0 | | |
valnemulin
[no description available] | 2.63 | 2 | 0 | | |
nu 7026
2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source | 2.89 | 3 | 0 | organic heterotricyclic compound;
organooxygen compound | |
fr 148083
5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. | 2.08 | 1 | 0 | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor |
gft505
[no description available] | 2.31 | 1 | 0 | | |
mocetinostat
mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 2.08 | 1 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
osi 930
OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | 3.07 | 4 | 0 | aromatic amide | |
k201 compound
K201 compound: structure given in first source | 2.05 | 1 | 0 | | |
ki 20227
[no description available] | 2.08 | 1 | 0 | | |
gw 9578
GW 9578: a peroxisome proliferator-activated receptor alpha agonist; structure in first source | 2.47 | 2 | 0 | | |
gw 7845
GW 7845: ligand of the peroxisome proliferator-activated receptor-gamma; structure in first source | 2.74 | 3 | 0 | | |
scio-469
SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004. talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. | 2.08 | 1 | 0 | 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 |
ticagrelor
Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome. | 2.89 | 3 | 0 | aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines | P2Y12 receptor antagonist;
platelet aggregation inhibitor |
ssr 69071
SSR 69071: structure in first source | 2.08 | 1 | 0 | pyridopyrimidine | |
l 692585
[no description available] | 2.89 | 3 | 0 | peptide | |
pi103
PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce | 3.07 | 4 | 0 | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
sb 210313
[no description available] | 2.08 | 1 | 0 | | |
naveglitazar
naveglitazar: LY-519818 is the (alpha-S)-isomer; an antidiabetic agent; structure in first source | 2.07 | 1 | 0 | aromatic ether | |
l 796449
L 796449: a peroxisomal proliferator-activated receptor-gamma agonist; structure in first source | 2.48 | 2 | 0 | | |
gw 4064
[no description available] | 2.49 | 2 | 0 | stilbenoid | |
nnc 26-9100
NNC 26-9100: structure in first source | 2.89 | 3 | 0 | aminopyridine | |
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine
[no description available] | 2.89 | 3 | 0 | | |
sa 4503
[no description available] | 2.08 | 1 | 0 | | |
ic 87114
IC 87114: structure in first source | 2.08 | 1 | 0 | 6-aminopurines;
biaryl;
quinazolines | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
zibotentan
ZD4054: a potent endothelin receptor A antagonist that inhibits ovarian carcinoma cell proliferation | 2.08 | 1 | 0 | phenylpyridine | |
tivozanib
N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source | 3.07 | 4 | 0 | aromatic ether | |
hki 272
[no description available] | 2.53 | 2 | 0 | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
tofacitinib
tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis. | 2.08 | 1 | 0 | N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound | antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
bibr 1532
[no description available] | 2.08 | 1 | 0 | | |
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
[no description available] | 3.07 | 4 | 0 | | |
rucaparib
AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source | 2.08 | 1 | 0 | azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
cediranib
[no description available] | 2.08 | 1 | 0 | aromatic ether | |
tae226
TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source | 2.89 | 3 | 0 | morpholines | |
gw0742
GW 610742: structure in first source | 5.98 | 19 | 0 | monocarboxylic acid | |
3-chloro-4-(3-(7-propyl-3-trifluoromethyl-6-benzisoxazolyl)propylthio)phenylacetic acid
[no description available] | 2.8 | 3 | 0 | | |
ns-220
[no description available] | 2.46 | 2 | 0 | | |
ps1145
PS1145: IkappaB kinase inhibitor; structure in first source | 2.08 | 1 | 0 | beta-carbolines | |
bay 41-8543
BAY 41-8543: structure in first source | 2.08 | 1 | 0 | pyrazolopyridine | |
u 18666a
3-beta-(2-(diethylamino)ethoxy)androst-5-en-17-one: inhibits cycloartenol synthase. 3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride : A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. | 2.89 | 3 | 0 | hydrochloride | antiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor |
chir 99021
Chir 99021: structure in first source. CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively. | 2.08 | 1 | 0 | aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
gw 590735
2-methyl-2-(4-(((4-methyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylcarbonyl)amino)methyl)phenoxy)propionic acid: an HDLc raising agent; structure in first source | 4.06 | 4 | 0 | | |
sb 525334
6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor | 3.07 | 4 | 0 | quinoxaline derivative | |
way-362450
[no description available] | 2.08 | 1 | 0 | indoles | |
masitinib
[no description available] | 2.08 | 1 | 0 | 1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines | antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor |
bx795
BX795: structure in first source | 3.07 | 4 | 0 | ureas | |
pazopanib
pazopanib: a protein kinase inhibitor. pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer. | 2.08 | 1 | 0 | aminopyrimidine;
indazoles;
sulfonamide | angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist |
sepantronium
sepantronium: a survivin suppressant with antineoplastic activity. sepantronium : An organic cation that is 1-(2-methoxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione in which the nitrogen at position 3 of the napthoimidazole moiety has been alkylated by a pyrazin-2-ylmethyl group. | 2.08 | 1 | 0 | organic cation | |
azd 6244
AZD 6244: a MEK inhibitor | 3.07 | 4 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source | 3.07 | 4 | 0 | | |
bay 61-3606
[no description available] | 2.89 | 3 | 0 | pyrimidines | |
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide : A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline. | 2.08 | 1 | 0 | 1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
ar c155858
AR C155858: an MCT1 inhibitor; structure in first source | 2.08 | 1 | 0 | | |
int 131
INT 131: a hypoglycemic agent; structure in first source | 3.61 | 2 | 0 | | |
aee 788
AEE 788: structure in first source | 2.08 | 1 | 0 | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug |
saracatinib
[no description available] | 2.08 | 1 | 0 | aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent |
sd-208
[no description available] | 3.07 | 4 | 0 | | |
vx 702
VX 702: a p38 MAP kinase inhibitor | 2.08 | 1 | 0 | phenylpyridine | |
crenolanib
[no description available] | 2.89 | 3 | 0 | aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
cj 033466
CJ 033466: structure in first source | 2.89 | 3 | 0 | | |
cc 401
CC 401: an anthrapyrazolone | 2.89 | 3 | 0 | pyrazoles;
ring assembly | |
(S)-Isosclerone
[no description available] | 2.41 | 1 | 0 | tetralins | |
volasertib
BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source | 2.08 | 1 | 0 | | |
PB28
PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. | 3.07 | 4 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
arterolane
arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine. | 2.89 | 3 | 0 | | |
azd 7762
[no description available] | 2.08 | 1 | 0 | aromatic amide;
thiophenes | |
cariprazine
cariprazine: Structure in first source. cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. | 2.89 | 3 | 0 | | |
krp-203
[no description available] | 3.07 | 4 | 0 | | |
mk 0354
[no description available] | 2.08 | 1 | 0 | | |
regorafenib
[no description available] | 3.07 | 4 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor |
at 7867
[no description available] | 2.89 | 3 | 0 | monochlorobenzenes;
piperidines;
pyrazoles | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
[no description available] | 3.07 | 4 | 0 | pyrroloquinoline | |
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
[no description available] | 2.08 | 1 | 0 | methoxybenzenes;
substituted aniline | |
ptc 124
[no description available] | 2.89 | 3 | 0 | oxadiazole;
ring assembly | |
degrasyn
degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source | 2.63 | 2 | 0 | | |
brivanib
[no description available] | 2.08 | 1 | 0 | aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist |
icg 001
[no description available] | 2.08 | 1 | 0 | peptide | |
mp470
[no description available] | 2.08 | 1 | 0 | N-arylpiperazine | |
mk 2866
[no description available] | 2.53 | 2 | 0 | | |
nu 7441
8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first source | 2.08 | 1 | 0 | dibenzothiophenes | |
at 7519
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. | 2.08 | 1 | 0 | dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
bi 2536
[no description available] | 3.07 | 4 | 0 | | |
danusertib
[no description available] | 2.08 | 1 | 0 | piperazines | |
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide
[no description available] | 2.08 | 1 | 0 | benzamides | |
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide
[no description available] | 2.08 | 1 | 0 | benzamides | |
abt 869
[no description available] | 2.08 | 1 | 0 | aromatic amine;
indazoles;
phenylureas | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
azd 1152
AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. | 2.89 | 3 | 0 | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug |
dorsomorphin
dorsomorphin: an AMPK inhibitor. dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling. | 2.08 | 1 | 0 | aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines | bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
ac 261066
[no description available] | 2.08 | 1 | 0 | | |
carfilzomib
[no description available] | 3.07 | 4 | 0 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
gw9508
GW9508: structure in first source | 2.08 | 1 | 0 | aromatic amine | |
jnj 26854165
[no description available] | 2.08 | 1 | 0 | | |
pf 573228
6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first source | 2.08 | 1 | 0 | quinolines | |
gw 2580
5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source | 2.08 | 1 | 0 | | |
idelalisib
idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. | 3.07 | 4 | 0 | aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
crizotinib
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.. crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC) | 2.08 | 1 | 0 | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile
[no description available] | 2.08 | 1 | 0 | benzimidazoles | |
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
Vx-11e: ERK1-2 inhibitor | 2.08 | 1 | 0 | aromatic amide;
heteroarene | |
osi 906
[no description available] | 2.08 | 1 | 0 | cyclobutanes;
quinolines | |
ly2109761
[no description available] | 2.08 | 1 | 0 | | |
chir-265
[no description available] | 2.08 | 1 | 0 | aromatic ether | |
motesanib
[no description available] | 3.07 | 4 | 0 | pyridinecarboxamide | |
az-628
AZ-628: a multikinase inhibitor; structure in first source | 2.08 | 1 | 0 | benzamides | |
trametinib
[no description available] | 2.08 | 1 | 0 | acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector |
pf-562,271
[no description available] | 3.07 | 4 | 0 | indoles | |
gliocladin c
gliocladin C: structure in first source | 2.89 | 3 | 0 | | |
lj 529
[no description available] | 2.59 | 2 | 0 | | |
sb 706504
[no description available] | 2.89 | 3 | 0 | | |
veliparib
[no description available] | 2.08 | 1 | 0 | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
ku-0060648
[no description available] | 3.07 | 4 | 0 | dibenzothiophenes | |
dactolisib
dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR. dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. | 2.08 | 1 | 0 | imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
bgt226
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.. BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. | 2.89 | 3 | 0 | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
palomid 529
[no description available] | 2.08 | 1 | 0 | | |
n-desmethyldanofloxacin
N-desmethyldanofloxacin: structure given in first source | 2.89 | 3 | 0 | | |
rabeprazole sodium
[no description available] | 2.15 | 1 | 0 | organic sodium salt | |
tosedostat
[no description available] | 2.08 | 1 | 0 | carboxylic ester;
hydroxamic acid;
secondary carboxamide | |
mdv 3100
[no description available] | 2.08 | 1 | 0 | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent |
ku 60019
[no description available] | 2.08 | 1 | 0 | | |
gsk 461364
GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | 2.08 | 1 | 0 | (trifluoromethyl)benzenes | |
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide: a MEK inhibitor; structure in first source | 2.08 | 1 | 0 | | |
azd 1152-hqpa
AZD2811: has antineoplastic activity; structure in first source | 2.63 | 2 | 0 | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor |
CDN1163
CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source. CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA). | 2.89 | 3 | 0 | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator |
nvp-tae684
[no description available] | 2.08 | 1 | 0 | piperidines | |
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source | 2.08 | 1 | 0 | | |
gsk 269962a
[no description available] | 3.07 | 4 | 0 | | |
a-83-01
A-83-01: an ALK-5 inhibitor; structure in first source | 2.08 | 1 | 0 | | |
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
[no description available] | 2.08 | 1 | 0 | indoles | |
vx-770
ivacaftor: a CFTR potentiator; structure in first source. ivacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis. | 2.08 | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone | CFTR potentiator;
orphan drug |
buparlisib
NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source | 2.08 | 1 | 0 | aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
azd 1480
[no description available] | 2.08 | 1 | 0 | | |
pha 848125
N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor | 2.89 | 3 | 0 | | |
fedratinib
fedratinib: a selective small-molecule inhibitor of JAK2 | 2.08 | 1 | 0 | sulfonamide | |
gsk690693
[no description available] | 2.08 | 1 | 0 | 1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cnf 2024
[no description available] | 2.08 | 1 | 0 | 2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines | antineoplastic agent;
Hsp90 inhibitor |
ku 0063794
Ku 0063794: an mTOR inhibitor; structure in first source | 2.08 | 1 | 0 | benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
mTOR inhibitor |
azd 7545
AZD 7545: an anilide tertiary carbinol; a pyruvate dehydrogenase kinase 2 inhibitor. AZD7545 : A sulfone that is benzene substituted by [4-(dimethylcarbamoyl)phenyl]sulfonyl, chloro and [(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino groups at positions 1, 3 and 4, respectively. It is a potent and non-ATP-competitive inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2) with IC50 of 6.4 nM and exhibits glucose-lowering activity. Also inhibits PDHK1 at higher levels (IC50 = 36.8 nM). | 2.08 | 1 | 0 | benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent |
nvp-bhg712
[no description available] | 2.89 | 3 | 0 | benzamides | |
nutlin-3b
[no description available] | 2.08 | 1 | 0 | Nutlin;
piperazinone | anticoronaviral agent |
pf 04217903
[no description available] | 3.07 | 4 | 0 | quinolines | |
gdc 0941
pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. | 2.08 | 1 | 0 | indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
sm 164
SM 164: a bivalent Smac mimetic with antineoplastic activity; structure in first source | 2.08 | 1 | 0 | benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
radiosensitizing agent |
calpain
Calpain: Cysteine proteinase found in many tissues. Hydrolyzes a variety of endogenous proteins including NEUROPEPTIDES; CYTOSKELETAL PROTEINS; proteins from SMOOTH MUSCLE; CARDIAC MUSCLE; liver; platelets; and erythrocytes. Two subclasses having high and low calcium sensitivity are known. Removes Z-discs and M-lines from myofibrils. Activates phosphorylase kinase and cyclic nucleotide-independent protein kinase. This enzyme was formerly listed as EC 3.4.22.4. | 2.25 | 1 | 0 | | |
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
[no description available] | 2.89 | 3 | 0 | aromatic ketone | |
ph 797804
PH 797804: an NSAID; structure in first source. PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. | 3.07 | 4 | 0 | aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone | anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
pha 408
PHA 408: an IKK-2 antagonist; structure in first source | 2.08 | 1 | 0 | | |
gsk 1016790a
GSK1016790A : A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. | 2.08 | 1 | 0 | 1-benzothiophenes;
aromatic primary alcohol;
dichlorobenzene;
N-acylpiperazine;
sulfonamide;
tertiary carboxamide | TRPV4 agonist |
sodium glutamate
Sodium Glutamate: One of the FLAVORING AGENTS used to impart a meat-like flavor.. monosodium glutamate : An organic sodium salt that is the monosodium salt of glutamic acid. | 2.04 | 1 | 0 | monosodium glutamate | flavouring agent |
olaparib
[no description available] | 2.08 | 1 | 0 | cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
srt1720
[no description available] | 3.07 | 4 | 0 | | |
plx 4720
PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first source | 2.08 | 1 | 0 | aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
cx 4945
[no description available] | 2.08 | 1 | 0 | | |
cudc 101
7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source | 2.08 | 1 | 0 | | |
purfalcamine
purfalcamine: a PfCDPK-1 inhibitor; structure in first source | 2.89 | 3 | 0 | | |
mln 8237
MLN 8237: an aurora kinase A inhibitor | 2.08 | 1 | 0 | benzazepine | |
lde225
sonidegib: specific Smoothened/Smo antagonist. sonidegib : A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. | 2.08 | 1 | 0 | aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist |
gdc 0449
HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity | 2.08 | 1 | 0 | benzamides;
monochlorobenzenes;
pyridines;
sulfone | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent |
sgx 523
[no description available] | 2.08 | 1 | 0 | aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine | c-Met tyrosine kinase inhibitor;
nephrotoxic agent |
bms 754807
BMS 754807: an IGR-1R kinase inhibitor; structure in first source | 2.89 | 3 | 0 | pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
bms 777607
N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first source | 2.08 | 1 | 0 | aromatic amide | |
sgi 1776
SGI 1776: a Pim kinase inhibitor; structure in first source | 2.08 | 1 | 0 | imidazoles | |
pci 32765
ibrutinib: a Btk protein inhibitor. ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. | 2.08 | 1 | 0 | acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
ponatinib
[no description available] | 3.07 | 4 | 0 | (trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine | antineoplastic agent;
tyrosine kinase inhibitor |
amg 900
N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source | 2.08 | 1 | 0 | | |
mk-1775
adavosertib: a Wee1 kinase inhibitor; structure in first source | 2.08 | 1 | 0 | piperazines | |
bag956
BAG956: an imidazo[4,5-c]quinoline; dual PI3K/PDK-1 inhibitor, used in antileukemic therapies | 2.08 | 1 | 0 | | |
quizartinib
[no description available] | 3.07 | 4 | 0 | benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor |
PP121
[no description available] | 2.89 | 3 | 0 | aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor |
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester
CAY10603: a HDAC6 inhibitor | 2.08 | 1 | 0 | carbamate ester | |
tak 733
[no description available] | 2.08 | 1 | 0 | | |
mk 2206
MK 2206: a protein kinase inhibitor and antineoplastic agent | 2.08 | 1 | 0 | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
navitoclax
[no description available] | 3.07 | 4 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
sns 314
SNS 314: an aurora kinase inhibitor; structure in first source | 2.08 | 1 | 0 | ureas | |
jzl 184
JZL 184: inhibits monoacylglycerol lipase; structure in first source | 2.08 | 1 | 0 | benzodioxoles | |
gsk 650394
[no description available] | 2.89 | 3 | 0 | phenylpyridine | |
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
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. momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis. | 2.08 | 1 | 0 | aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound | anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
dcc-2036
rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | 3.07 | 4 | 0 | organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines | tyrosine kinase inhibitor |
cabozantinib
cabozantinib: a multikinase inhibitor. cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. | 3.07 | 4 | 0 | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide
[no description available] | 2.08 | 1 | 0 | benzamides | |
incb-018424
[no description available] | 2.08 | 1 | 0 | nitrile;
pyrazoles;
pyrrolopyrimidine | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
bix 01294
[no description available] | 2.08 | 1 | 0 | piperidines | |
pf 3845
PF 3845: inhibits fatty acid amide hydrolase | 2.08 | 1 | 0 | piperidines | |
TAK-580
MLN 2480: brain-penetrant RAF dimer antagonist. TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. | 2.89 | 3 | 0 | 1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor |
gsk 2126458
omipalisib: inhibitor of mTOR protein. omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors. | 2.08 | 1 | 0 | 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 |
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
[no description available] | 2.89 | 3 | 0 | chromones | |
ixazomib
ixazomib: a proteasome inhibitor with antineoplastic activity; MLN2238 is the biologically active form of MLN9708; structure in first source. ixazomib : A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. | 2.08 | 1 | 0 | benzamides;
boronic acids;
dichlorobenzene;
glycine derivative | antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor |
ldn 193189
LDN 193189: inhibits bone morphogenetic protein signaling | 2.08 | 1 | 0 | pyrimidines | |
pf 3758309
PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | 2.89 | 3 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source | 2.63 | 2 | 0 | benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
mTOR inhibitor |
plx4032
[no description available] | 2.08 | 1 | 0 | aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol
[no description available] | 2.08 | 1 | 0 | biphenyls | |
gsk 1363089
GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source | 2.08 | 1 | 0 | aromatic ether | |
kin-193
[no description available] | 2.08 | 1 | 0 | pyridopyrimidine | |
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
thienopyrimidine | |
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
thienopyrimidine | |
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
thienopyrimidine | |
glycolipids
[no description available] | 2.13 | 1 | 0 | | |
bay 869766
[no description available] | 2.08 | 1 | 0 | | |
baricitinib
[no description available] | 2.89 | 3 | 0 | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent |
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester
WYE-354: an mTOR inhibitor; structure in first source | 2.08 | 1 | 0 | carbamate ester | |
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine
[no description available] | 2.89 | 3 | 0 | quinazolines | |
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
ML-265: a small molecule activator of PKM2 | 3.07 | 4 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
p505-15
[no description available] | 2.89 | 3 | 0 | | |
mrt67307
MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source | 2.89 | 3 | 0 | aromatic amine | |
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
[no description available] | 2.08 | 1 | 0 | benzenes;
sulfonamide | |
cp 466722
[no description available] | 2.08 | 1 | 0 | quinazolines | |
CAY10626
[no description available] | 2.08 | 1 | 0 | ureas | |
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide
[no description available] | 2.89 | 3 | 0 | piperazines | |
thiopental sodium
[no description available] | 2.08 | 1 | 0 | organochlorine compound;
piperazines;
pyrimidines | antineoplastic agent;
tyrosine kinase inhibitor |
ribociclib
ribociclib: inhibits both CDK4 and CDK6 | 2.89 | 3 | 0 | | |
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
[no description available] | 2.89 | 3 | 0 | aromatic ketone;
thienopyrimidine | |
pha 793887
[no description available] | 3.07 | 4 | 0 | piperidinecarboxamide | |
gsk 2334470
GSK 2334470: a PDK1 inhibitor; structure in first source | 2.21 | 1 | 0 | indazoles | |
gsk0660
GSK0660: PPAR antagonist; structure in first source | 4.01 | 12 | 0 | sulfonamide | |
nvp-bsk805
[no description available] | 2.08 | 1 | 0 | | |
ml228 probe
ML228 probe: structure in first source. ML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway. | 2.89 | 3 | 0 | 1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound | hypoxia-inducible factor pathway activator |
xmd 8-92
XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway. | 2.08 | 1 | 0 | pyrimidobenzodiazepine | protein kinase inhibitor |
pf-03882845
[no description available] | 2.89 | 3 | 0 | | |
jq1 compound
[no description available] | 3.07 | 4 | 0 | carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer |
jnj38877605
[no description available] | 2.08 | 1 | 0 | quinolines | |
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide
[no description available] | 2.08 | 1 | 0 | benzothiazoles | |
pf-04620110
PF-04620110: a DGAT1 inhibitor; structure in first source | 2.89 | 3 | 0 | | |
gyy 4137
GYY 4137: has vasodilator, antihypertensive and anti-inflammatory activities; structure in first source | 2.6 | 1 | 0 | organic molecular entity | |
gsk525762a
molibresib: mimicks acetylated histones; structure in first source | 2.89 | 3 | 0 | benzodiazepine | |
birinapant
birinapant: a Smac mimetic with antineoplastic activity | 2.21 | 1 | 0 | dipeptide | |
torin 1
torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | 3.07 | 4 | 0 | N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines | antineoplastic agent;
mTOR inhibitor |
abt-199
venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.. venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. | 2.89 | 3 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
ly2940680
[no description available] | 2.08 | 1 | 0 | | |
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
[no description available] | 3.07 | 4 | 0 | ureas | |
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide
[no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes | |
ro 4929097
[no description available] | 2.08 | 1 | 0 | dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound | EC 3.4.23.46 (memapsin 2) inhibitor |
ncgc00242364
NCGC00242364: structure in first source | 2.89 | 3 | 0 | quinazolines | |
gsk4112
GSK4112: a Rev-erbalpha agonist; structure in first source | 2.08 | 1 | 0 | | |
torin 2
torin 2 : A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | 2.08 | 1 | 0 | aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline | antineoplastic agent;
mTOR inhibitor |
pf-4708671
[no description available] | 2.08 | 1 | 0 | | |
gsk1210151a
GSK1210151A: inhibitor of the BET family of proteins; structure in first source | 2.89 | 3 | 0 | imidazoquinoline | |
hs-173
[no description available] | 2.89 | 3 | 0 | | |
sr1664
[no description available] | 2.89 | 3 | 0 | indolecarboxamide | |
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide: inhibits phosphopantetheinyl transferase; structure in first source | 2.89 | 3 | 0 | | |
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
[no description available] | 2.83 | 3 | 0 | benzamides;
N-acylpiperidine | |
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
[no description available] | 2.59 | 2 | 0 | aminoquinoline | |
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide : A member of the class of quinazolines that is quinazoline substituted by {3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino and 3-(2-methoxyacetamido)prop-1-en-1-yl groups at positions 4 and 6, respectively. | 2.08 | 1 | 0 | aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes | |
belinostat
[no description available] | 2.08 | 1 | 0 | olefinic compound | |
cudc-907
[no description available] | 2.89 | 3 | 0 | | |
methacycline
Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.. methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6. | 2.21 | 1 | 0 | | |
piroxicam
[no description available] | 2.06 | 1 | 0 | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate
ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate: RN & structure given in first source | 2.08 | 1 | 0 | carboxylic acid;
pyrroline | |
methacycline monohydrochloride
[no description available] | 2.59 | 2 | 0 | | |
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid
[no description available] | 2.89 | 3 | 0 | quinolines | |
a 769662
[no description available] | 2.08 | 1 | 0 | biphenyls | |
agi-5198
AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source | 2.89 | 3 | 0 | | |
transforming growth factor beta
Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins. | 3.34 | 6 | 0 | | |
cep-32496
agerafenib: inhibitor of RAF family kinases; structure in first source | 2.89 | 3 | 0 | | |
epz004777
[no description available] | 2.89 | 3 | 0 | N-glycosyl compound | |
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
[no description available] | 2.89 | 3 | 0 | organonitrogen heterocyclic compound | |
LimKi 3
LIMKi3: LIMK inhibitor. LimKi 3 : A member of the class of pyrazoles that is 1-(2,6-dichlorophenyl)-1H-pyrazole which is substituted by a difluoromethyl group at position 3 and by a 2-(isobutyrylamino)-1,3-thiazol-5-yl group at position 5. It is a a potent cell-permeable inhibitor of LIM kinase 1 and 2. | 2.08 | 1 | 0 | 1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide | LIM kinase inhibitor |
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone
[no description available] | 2.08 | 1 | 0 | pyrroles | |
entecavir
[no description available] | 2.89 | 3 | 0 | benzamides;
N-acylpiperidine | |
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole
[no description available] | 2.08 | 1 | 0 | dipyrrins | |
sr9009
[no description available] | 3.21 | 1 | 0 | | |
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide
[no description available] | 2.08 | 1 | 0 | tryptamines | |
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione
[no description available] | 2.08 | 1 | 0 | pyrazines | |
gsk837149a
GSK837149A: structure in first source | 2.08 | 1 | 0 | | |
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
[no description available] | 2.08 | 1 | 0 | quinazolines | |
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
[no description available] | 2.08 | 1 | 0 | quinazolines | |
wnt-c59
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide: a PORCN acyltransferase inhibitor; structure in first source | 2.08 | 1 | 0 | | |
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime
[no description available] | 2.08 | 1 | 0 | indanes | |
gkt137831
setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative | 2.89 | 3 | 0 | | |
vx-509
[no description available] | 2.89 | 3 | 0 | | |
vx-970
berzosertib: an ATR kinase inhibitor | 2.89 | 3 | 0 | sulfonamide | |
gs-9973
[no description available] | 2.89 | 3 | 0 | | |
amg 925
AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML). | 2.89 | 3 | 0 | | |
gne-618
GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source | 2.89 | 3 | 0 | | |
g007-lk
G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source | 2.89 | 3 | 0 | | |
volitinib
[no description available] | 2.89 | 3 | 0 | | |
ML355
ML355: 12-Lipoxygenase inhibitor. ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis. | 2.89 | 3 | 0 | benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor |
acp-196
acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity. acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. | 2.89 | 3 | 0 | aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk343
GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). | 2.89 | 3 | 0 | aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
agi-6780
AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source | 2.89 | 3 | 0 | | |
khs101
KHS101: a small molecule accelerates neuronal differentiation in the adult rat | 2.89 | 3 | 0 | | |
4-hydroxydodeca-2,6-dienal
[no description available] | 2.05 | 1 | 0 | | |
cb-839
[no description available] | 2.89 | 3 | 0 | | |
gsk-j4
GSK-J4: a JMJD3 inhibitor; structure in first source | 2.89 | 3 | 0 | organonitrogen heterocyclic compound | |
pf-06424439
PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source | 2.89 | 3 | 0 | | |
etp-46464
ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source | 2.89 | 3 | 0 | | |
onc201
TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source | 2.89 | 3 | 0 | | |
kai407
KAI407: an antimalarial; structure in first source | 2.89 | 3 | 0 | | |
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine
6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source | 2.89 | 3 | 0 | | |
enasidenib
[no description available] | 2.89 | 3 | 0 | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
oicr-9429
OICR-9429: antineoplastic; structure in first source | 2.89 | 3 | 0 | | |
lly-507
LLY-507: inhibits methyltransferase SMYD2; structure in first source. LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes. | 2.89 | 3 | 0 | | |
transforming growth factor alpha
Transforming Growth Factor alpha: An EPIDERMAL GROWTH FACTOR related protein that is found in a variety of tissues including EPITHELIUM, and maternal DECIDUA. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form which binds to the EGF RECEPTOR. | 2.06 | 1 | 0 | | |
cyclosporine
Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed). | 2.05 | 1 | 0 | | |
at 9283
[no description available] | 2.89 | 3 | 0 | | |
chir 258
[no description available] | 2.08 | 1 | 0 | | |
osi 027
OSI 027: inhibits both mTORC1 and mTORC2; structure in first source | 2.08 | 1 | 0 | | |
hypoxanthine
[no description available] | 2.89 | 3 | 0 | nucleobase analogue;
oxopurine;
purine nucleobase | fundamental metabolite |
sapropterin
sapropterin: RN given refers to parent cpd; co-factor required for catalytic activity of nitric oxide synthases. (6R)-5,6,7,8-tetrahydrobiopterin : A 5,6,7,8-tetrahydrobiopterin in which the stereocentre at position 6 has R-configuration.. sapropterin : A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer). | 2.79 | 3 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme;
cofactor;
diagnostic agent;
human metabolite |
clozapine
Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. | 2.89 | 3 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
hli 373
[no description available] | 2.08 | 1 | 0 | | |
pemetrexed
pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). | 2.08 | 1 | 0 | N-acyl-L-glutamic acid;
pyrrolopyrimidine | antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
1-hydroxyphenazine
1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa. 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position. | 2.89 | 3 | 0 | phenazines | |
sildenafil citrate
Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil. | 2.08 | 1 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
aprepitant
Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.. aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. | 2.08 | 1 | 0 | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist |
xav939
XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source. XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group. | 2.08 | 1 | 0 | (trifluoromethyl)benzenes;
thiopyranopyrimidine | tankyrase inhibitor |
2-carboxyarabinitol 1-phosphate
[no description available] | 2.08 | 1 | 0 | | |
ro 24-7429
Ro 24-7429: blocks the action of the HIV tat protein; an analog of Ro 5-3335; Proc Natl Acad Sci U S A 1993 Jul 15;90(14):6395-9 | 2.89 | 3 | 0 | benzodiazepine | |
nintedanib
nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer. | 3.07 | 4 | 0 | | |
ly 518674
LY 518674: a peroxisome proliferator-activated receptor alpha agonist; structure in first source | 2.46 | 2 | 0 | | |
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide
[no description available] | 2.89 | 3 | 0 | catechols;
hydrazide;
hydrazone;
naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
ver 52296
luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine. | 3.07 | 4 | 0 | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor |
sb-590885
N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine : A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively. | 2.08 | 1 | 0 | aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound | |
rvx 208
apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation | 2.89 | 3 | 0 | | |
bmn 673
talazoparib: inhibits both PARP1 and PARP2; structure in first source | 2.89 | 3 | 0 | | |
pf-477736
PF 00477736: a Chk1 inhibitor; structure in first source. PF-00477736 : A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1). | 2.08 | 1 | 0 | | |
fenobam
fenobam: in USAN fenobam refers to monohydrate | 2.08 | 1 | 0 | ureas | |
leptin
Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage. | 2.04 | 1 | 0 | | |