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positive regulation of GTPase activity
Definition
Target type: biologicalprocess
Any process that activates or increases the activity of a GTPase. [GOC:jl, GOC:mah]
Proteins (17)
| Protein | Definition | Taxonomy |
|---|---|---|
| C-C motif chemokine 2 | A C-C motif chemokine 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P13500] | Homo sapiens (human) |
| Secreted frizzled-related protein 1 | A secreted frizzled-related protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N474] | Homo sapiens (human) |
| Histone-lysine N-methyltransferase EZH2 | A histone-lysine N-methyltransferase EZH2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15910] | Homo sapiens (human) |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | A peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13526] | Homo sapiens (human) |
| Protein S100-A10 | A protein S100-A10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P60903] | Homo sapiens (human) |
| Regulator of G-protein signaling 8 | A regulator of G-protein signaling 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P57771] | Homo sapiens (human) |
| Proteinase-activated receptor 2 | A proteinase-activated receptor 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P55085] | Homo sapiens (human) |
| Glycogen synthase kinase-3 beta | A glycogen synthase kinase-3 beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49841] | Homo sapiens (human) |
| Proteinase-activated receptor 1 | A proteinase-activated receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P25116] | Homo sapiens (human) |
| Myeloblastin | A myeloblastin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24158] | Homo sapiens (human) |
| Protein-glutamine gamma-glutamyltransferase 2 | A protein-glutamine gamma-glutamyltransferase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21980] | Homo sapiens (human) |
| Integrin beta-1 | An integrin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05556] | Homo sapiens (human) |
| High affinity nerve growth factor receptor | A high affinity nerve growth factor receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04629] | Homo sapiens (human) |
| GTPase HRas | A GTPase HRas that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01112] | Homo sapiens (human) |
| Mitogen-activated protein kinase kinase kinase kinase 4 | A mitogen-activated protein kinase kinase kinase kinase 4 that is encoded in the genome of human. [PRO:AL, UniProtKB:O95819] | Homo sapiens (human) |
| Rap guanine nucleotide exchange factor 3 | A Rap guanine nucleotide exchange factor 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95398] | Homo sapiens (human) |
| Cyclin-dependent kinase-like 5 | A cyclin-dependent kinase-like 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O76039] | Homo sapiens (human) |
Compounds (1,048)
| Compound | Definition | Classes | Roles |
|---|---|---|---|
| dinitrochlorobenzene | 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds. | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
| protocatechuic acid | 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. protocatechuic acid: RN given refers to parent cpd; structure | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
| aminocaproic acid | 6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator. Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties. | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
| pentachlorophenol | PENTA: structure given in first source | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
| pyrazinoic acid | pyrazine-2-carboxylic acid : The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. pyrazinoic acid: active metabolite of pyrazinamide; structure | pyrazinecarboxylic acid | antitubercular agent; drug metabolite |
| urea | isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. pseudourea: clinical use; structure | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| beta-resorcylic acid | beta-resorcylic acid: RN given refers to parent cpd; structure | ||
| 3,4-dichloroisocoumarin | 3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor. | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
| 4-aminopyridine | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker | |
| tacrine | tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders. | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| ambroxol | Ambroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride. | aromatic amine | |
| amitriptyline | amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines. | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
| benzbromarone | 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. Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout. | 1-benzofurans; aromatic ketone | uricosuric drug |
| bisindolylmaleimide i | bisindolylmaleimide I: a bis(indolyl)maleimide | ||
| carisoprodol | carisoprodol : A carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. Carisoprodol: A centrally acting skeletal muscle relaxant whose mechanism of action is not completely understood but may be related to its sedative actions. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1202) | carbamate ester | muscle relaxant |
| dipyridamole | dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots. Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752) | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
| stallimycin | |||
| donepezil | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE. | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
| efavirenz | |||
| embelin | embelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. embelin: from Embelia fruit (Myrsinaceae) | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
| felbamate | felbamate : The bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy. Felbamate: A PEGylated phenylcarbamate derivative that acts as an antagonist of NMDA RECEPTORS. It is used as an anticonvulsant, primarily for the treatment of SEIZURES in severe refractory EPILEPSY. | carbamate ester | anticonvulsant; neuroprotective agent |
| fenbendazole | 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. Fenbendazole: Antinematodal benzimidazole used in veterinary medicine. | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
| fluconazole | fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS. | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
| flucytosine | flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections. Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent. | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
| guaifenesin | Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations. | methoxybenzenes | |
| gw8510 | GW8510: 3' substituted indolone as a scaffold for the development of neuroprotective drug; structure in first source | ||
| fasudil | 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. fasudil: intracellular calcium antagonist; structure in first source | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
| haloperidol | 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. Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279) | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
| hexachlorophene | hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797) | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
| amrinone | amrinone : A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure. Amrinone: A positive inotropic cardiotonic (CARDIOTONIC AGENTS) with vasodilator properties, phosphodiesterase 3 inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell. | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indirubin-3'-monoxime | 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. indirubin-3'-monoxime: has antiangiogenic activity | ||
| 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration | ||
| 1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | ZM39923: structure in first source | naphthalenes | |
| juglone | juglone : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. juglone: structure | hydroxy-1,4-naphthoquinone | geroprotector; herbicide; reactive oxygen species generator |
| nsc 664704 | kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). kenpaullone: inhibits CDK1/cyclin B; structure in first source | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
| ketamine | 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. Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors. | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
| beta-lapachone | beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
| vitamin k 3 | Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
| niclosamide | 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. Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48) | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
| nisoldipine | methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris. nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris. Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina. | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
| masoprocol | nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata) | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
| nu6102 | NU6102: structure in first source | ||
| oxeladin | oxeladin: RN given refers to parent cpd; structure | alkylbenzene | |
| phenylmethylsulfonyl fluoride | phenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group. Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex. | acyl fluoride | serine proteinase inhibitor |
| primidone | primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures. Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite. | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
| quetiapine | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist | |
| ro 31-8220 | Ro 31-8220: a protein kinase C inhibitor | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| sb 202190 | 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| imatinib | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | |
| sulfadimethoxine | sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent. | aromatic ether; pyrimidines; substituted aniline; sulfonamide; sulfonamide antibiotic | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
| 2,4-thiazolidinedione | 1,3-thiazolidine-2,4-dione : A thiazolidenedione carrying oxo substituents at positions 2 and 4. thiazolidine-2,4-dione: structure in first source | thiazolidenedione | |
| ultram | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol : A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. | aromatic ether; tertiary alcohol; tertiary amino compound | |
| thyroxine | thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism. | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine; thyroxine zwitterion | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
| estrone | Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
| methyldimethylaminoazobenzene | 3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. Methyldimethylaminoazobenzene: A very potent liver carcinogen. | ||
| uridine | uridines | drug metabolite; fundamental metabolite; human metabolite | |
| cycloheximide | cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis. | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
| phenacyl bromide | phenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2. phenacyl bromide: structure | acetophenones; alpha-bromoketone | metabolite |
| 4-hydroxypropiophenone | acetophenones | ||
| gibberellic acid | gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
| tetrabromobisphenol a | 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. tetrabromobisphenol A: a brominated flame retardant | brominated flame retardant; bromobisphenol | |
| purpurin | purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. purpurin: from Rubiaceae plants; structure in first source | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
| skimmianine | skimmianine: furanoquinoline alkaloid from Teclea (RUTACEAE) | alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| 9,10-phenanthrenequinone | 9,10-phenanthrenequinone: structure | phenanthrenes | |
| phthalimide | phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. phthalimide: RN given refers to parent cpd | phthalimides | |
| acriflavine chloride | 3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine. | organic chloride salt | antibacterial agent; antiseptic drug; carcinogenic agent; histological dye; intercalator |
| 7-amino-4-hydroxy-2-naphthalenesulfonic acid | 7-amino-4-hydroxy-2-naphthalenesulfonic acid : An aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. 7-amino-4-hydroxy-2-naphthalenesulfonic acid: structure given in first source | aminonaphthalenesulfonic acid; naphthols | metabolite |
| 5-bromoisatin | indoles | anticoronaviral agent | |
| 2-nitrotoluene | nitrotoluene : Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring. | mononitrotoluene | carcinogenic agent; environmental contaminant |
| isatin | tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| pyronine | pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-. | iminium salt; organic chloride salt | histological dye |
| 6-methylcoumarin | 6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. 6-methylcoumarin: synthetic fragrance causing contact photoallergy | coumarins | allergen; fragrance |
| xanthenes | Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring. | xanthene | |
| ethyl benzoate | ethyl benzoate : A benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil. | benzoate ester; ethyl ester | flavouring agent; fragrance; volatile oil component |
| 3,4-xylidine | 3,4-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B2, dyes, pesticides and other chemicals. | dimethylaniline; primary arylamine | |
| 4-methyl-3-nitrobenzoic acid | 4-methyl-3-nitrobenzoic acid: a migration inhibitor, prevents breast cancer metastasis in SCID mice | ||
| fentichlor | fentichlor: structure fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine. | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
| 1,3-ditolylguanidine | 1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the brain | toluenes | |
| thiophene-2-carboxaldehyde | formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2. thiophene-2-carboxaldehyde: structure in first source | aldehyde; thiophenes | metabolite |
| acetophenone | acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
| 4-bromophenacyl bromide | 4-bromophenacyl bromide: phospholipidase A(2) inhibitor; structure | ||
| 4-chloroacetophenone | |||
| methylaniline | methylaniline : A substituted aniline carrying one or more methyl groups at unspecified positions. methylaniline: RN given refers to parent cpd | methylaniline; phenylalkylamine; secondary amine | |
| 4-aminodiphenylamine | 4-aminodiphenylamine: RN given refers to parent cpd p-aminodiphenylamine : An aromatic amine that is the 4-amino derivative of diphenylamine. | aromatic amine; secondary amino compound | allergen |
| maleic anhydride | maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid. Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns. | cyclic dicarboxylic anhydride; furans | allergen |
| adiponitrile | |||
| 1-amino-4-hydroxyanthraquinone | |||
| 5-amino-2-naphthalenesulfonate | aminonaphthalenesulfonic acid | ||
| 1,4-naphthoquinone | 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene. | 1,4-naphthoquinones | |
| 2,4-dihydroxybenzophenone | 2,4-dihydroxybenzophenone: structure in first source | benzophenones | |
| 20-alpha-dihydroprogesterone | 20-alpha-Dihydroprogesterone: A biologically active 20-alpha-reduced metabolite of PROGESTERONE. It is converted from progesterone to 20-alpha-hydroxypregn-4-en-3-one by the 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE in the CORPUS LUTEUM and the PLACENTA. | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
| quinestrol | Quinestrol: The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal absorption, it is stored in ADIPOSE TISSUE, slowly released, and metabolized principally to the parent compound. It has been used in ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992, p1011) | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
| lithocholic acid | lithocholate : A bile acid anion that is the conjugate base of lithocholic acid. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
| nandrolone | nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
| hydantoins | Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | imidazolidine-2,4-dione | |
| glycyrrhetinic acid | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite | |
| glaucine | |||
| indirubin | |||
| 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7h-furo(3,2-g)(1)benzopyran-7-one | 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one: isolated from Angelica dahurica (Umbelliferae); structure in first source | psoralens | |
| indigo | hydroxyindoles | ||
| hematoxylin | Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink. | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
| 2,3-dimethylphenol | |||
| acetylsalicylsalicylic acid | acetylsalicylsalicylic acid: potential immunogenic impurity in aspirin; structure | carbonyl compound | |
| maleimide | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | |
| myristic acid | Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed) tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
| neutral red base | neutral red base : A member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. | aromatic amine; phenazines; primary amino compound; tertiary amino compound | acid-base indicator; dye; two-colour indicator |
| succinimide | succinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. succinimide: RN given refers to parent cpd | dicarboximide; pyrrolidinone | |
| pentabromophenol | |||
| erythromycin | erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus). erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins. | cyclic ketone; erythromycin | |
| 1,4-androstadiene-3,17-dione | 1,4-androstadiene-3,17-dione: structure androsta-1,4-diene-3,17-dione : A steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17. | 17-oxo steroid; 3-oxo-Delta(1) steroid; 3-oxo-Delta(4) steroid | |
| 2-hydroxybenzothiazole | 2-hydroxybenzothiazole : Benzothiazole substituted with a hydroxy group at the 2-position. | benzothiazole | |
| estradiol valerate | steroid ester | ||
| d-alpha tocopherol | (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen. Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS. | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
| 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) | aromatic ketone | |
| 3-aminofluoranthene | 3-aminofluoranthene: structure given in first source | ||
| Bis(2-furanylmethyl) disulfide | heteroarene | ||
| carboxin | carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. Carboxin: A systemic agricultural fungicide and seed treatment agent. | anilide; anilide fungicide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| 1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione | oxopurine | ||
| aseanostatin p5 | 12-methyltetradecanoic acid : A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent. aseanostatin P5: from actinomycetes; inhibits myeloperoxidase release from human polymorphonuclear leukocytes; structure given in first source; RN given refers to cpd without isomeric designation | branched-chain saturated fatty acid; long-chain fatty acid | |
| 6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine | flavin | ||
| 4-(4-dimethylaminophenylazo)benzoic acid | 4-(4-dimethylaminophenylazo)benzoic acid: structure given in first source | ||
| hydroxyzine pamoate | piperazinium salt | ||
| pyrazophos | pyrazophos : A member of the class of pyrazolopyrimidines that is the ethyl ester of 2-[(diethoxyphosphorothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid. A profungicide (by hydrolysis of the thionophosphate group to afford the corresponding 2-hydroxypyrazolopyrimidine fungicide), it is used to control Erysiphe, Helminthosporium and Rhynchospium in cereals. pyrazophos: structure | ethyl ester; organic thiophosphate; pyrazolopyrimidine | antifungal agrochemical; insecticide; phospholipid biosynthesis inhibitor; profungicide |
| 3-methyl-2-quinoxalinol | quinoxaline derivative | ||
| danazol | Danazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders. | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
| cetyldimethylethylammonium bromide | |||
| rafoxanide | Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | ||
| (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | anthracycline | ||
| frentizole | frentizole: RN given refers to parent cpd | ||
| 2-n-octyl-4-isothiazolin-3-one | octhilinone : A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. | 1,2-thiazoles | antibacterial agent; antifungal agrochemical; environmental contaminant; xenobiotic |
| procymidone | procymidone : An azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. | ||
| ribavirin | Rebetron: Rebetron is tradename | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| methyldopa | alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring. Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent. | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
| 2-Acetyl-7-methoxybenzofuran | benzofurans | ||
| iem 611 | IEM 611: RN given refers to parent cpd; structure | ||
| Nanaomycin | benzoisochromanequinone | ||
| closantel | closantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections. closantel: structure N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
| s-2678 | XI-006: diminishes MDM4 promoter activity; structure in first source | ||
| triciribine phosphate | |||
| staurosporine | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector | |
| 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. | 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 |
| chaetochromin | chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | ||
| nsc 330770 | NSC 330770: structure given in first source | ||
| topotecan hydrochloride | |||
| tirofiban | tirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group. Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME. | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
| adenosine | quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
| Pronetalol hydrochloride | organic molecular entity | ||
| Allyl nonanoate | fatty acid ester | ||
| 5-Aminoacenaphthene | naphthalenes | ||
| diacetylfluorescein | |||
| epigallocatechin gallate | (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis) | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
| o-(6)-methylguanine | 6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent. O-(6)-methylguanine: structure | methylguanine | mutagen |
| benzoclidine | benzoclidine: Russian drug; RN given refers to parent cpd | ||
| propazole | propazole: RN given refers to parent cpd; structure | benzimidazoles | |
| physodic acid | physodic acid: lichen constituent | carbonyl compound | |
| toxoflavin | toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. toxoflavin: azapteridine antibiotic; structure | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
| 2-amino-7-naphthol | 2-amino-7-naphthol: mutagen metabolite of 2-aminonaphthalene; RN given refers to parent cpd | ||
| 2-bromo-4'-nitroacetophenone | |||
| 2,3-trimethylene-4-quinazolone | 2,3-trimethylene-4-quinazolone: structure in first source | quinazolines | |
| clomipramine hydrochloride | clomipramine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias. | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
| sertraline | sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression. | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
| bithionol sulfoxide | bithionol sulfoxide: RN given refers to parent cpd; structure | ||
| 2,4-dimethoxybenzaldehyde | |||
| 4-cyclopentene-1,3-dione | 4-cyclopentene-1,3-dione: induces electrical excitability in crustacean muscle | ||
| n-methylmaleimide | N-methylmaleimide: structure in first source | ||
| etidin | etidin: structure; geroprotective agent | ||
| suksdorfin | suksdorfin: from the fruit of Lomatium sukdorfi; structure given in first source | ||
| picropodophyllin | picropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
| 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid | 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid: structure given in first source | ||
| coumarin 153 | coumarin 153: structure in first source | 7-aminocoumarins | fluorochrome |
| berberrubine | berberrubine: RN refers to chloride salt; a protoberberine alkaloid antitumor agent which exhibits topoisomerase II poison activity as well as catalytic inhibition activity; structure in first source | ||
| methyl fluorone black | methyl fluorone black: structure | ||
| 9-hydroxyphenylfluoron | |||
| 1,10-phenanthroline-5,6-dione | 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source | ||
| 3-deazaneplanocin | 3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist | ||
| lobaric acid | lobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first source | carbonyl compound | |
| 2-chloranil | |||
| ergocornine | ergocornine : Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. ergocornine: a component of ergotoxine; minor descriptor (75-86); on-line & INDEX MEDICUS search ERGOLINES (75-86); RN given refers to ((5'alpha)-isomer) | ergot alkaloid | |
| tryptanthrine | tryptanthrine: minor constituent of traditional Chinese medicine qing dai | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
| n-benzylmaleimide | |||
| 2-(4-Morpholinyl)benzothiazole | benzothiazoles | ||
| n,n'-2-phenylenedimaleimide | N,N'-2-phenylenedimaleimide: RN given refers to 2-phenylene-cpd | ||
| 5-Chloro-1H-indole-2,3-dione | indoles | anticoronaviral agent | |
| 2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione | |||
| 5-iodoisatin | 5-iodoisatin: structure in first source | indoles | anticoronaviral agent |
| sennoside B | sennoside B : A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. | oxo dicarboxylic acid; sennosides | |
| 7-ketocholesterol | 7-ketocholesterol : A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7. 7-ketocholesterol: inhibits uptake of cholesterol in rabbit aorta | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid | neuroprotective agent |
| trimethylphenylammonium iodide | |||
| coumarin 7 | coumarin 7: structure in first source | ||
| cb 1837 | CB 1837: RN given refers to parent cpd; structure | ||
| osajin | osajin: from Maclura pomifera | isoflavanones | |
| 9,10-phenanthrenequinone monoxime | 9,10-phenanthrenequinone monoxime: selective sensitive reagent for iron in environmental samples | ||
| 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one | 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively. | pentahydroxyflavone | |
| nitrophenylgalactosides | 2-nitrophenyl beta-D-galactoside : A beta-D-galactoside having a 2-nitrophenyl substituent at the anomeric position. Nitrophenylgalactosides: Includes ortho-, meta-, and para-nitrophenylgalactosides. | beta-D-galactoside; C-nitro compound | chromogenic compound |
| 5-iodotubercidin | 7-iodotubercidin: inhibits Toxoplasma gondii adenosine kinase | organoiodine compound | |
| 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione | 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source | ||
| arginyl-glycyl-aspartic acid | arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system | oligopeptide | |
| sivelestat | sivelestat: inhibitor of neutrophil elastase; structure given in first source | N-acylglycine; pivalate ester | |
| arginyl-glycyl-aspartyl-serine | arginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets | ||
| dihydrocapsaicin | capsaicinoid | ||
| triptolide | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite | |
| homoorientin | homoorientin: isolated from Swertia japonica; structure given in first source | flavone C-glycoside; tetrahydroxyflavone | antineoplastic agent; radical scavenger |
| tanshinone | tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | abietane diterpenoid | anticoronaviral agent |
| phacidin | phacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria | ||
| gefitinib | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | |
| glycyl-arginyl-glycyl-aspartyl-serine | glycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells | ||
| 3'-deamino-3'-hydroxydaunorubicin | 3'-deamino-3'-hydroxydaunorubicin: structure given in first source | ||
| przewaquinone d | przewaquinone D: isolated from root of Salvia przewalskii; structure given in first source; RN given refers to the trans- isomer, przewaquinone D | ||
| lestaurtinib | indolocarbazole | ||
| ro 32-0432 | |||
| d-arg-gly-asp-trp | arginyl-glycyl-aspartyl-tryptophan: a synthetic RGD-containing peptide | ||
| omega-n-methylarginine | N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent. omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase. | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
| gyrophoric acid | gyrophoric acid: a tridepside isolated from Parmelia nepalensis | carbonyl compound | |
| perifosine | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| lonafarnib | lonafarnib : A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor. lonafarnib: inhibitor of farnesyl protein transferase | 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| vatalanib | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist | |
| l 738167 | L 738167: structure in first source | ||
| ruboxistaurin | ruboxistaurin: inhibits protein kinase C beta; structure in first source | ||
| canertinib | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
| birb 796 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator | |
| schizandrin b | (+)-schisandrin B : An organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. | aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin | anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite |
| sch 45752 | organic heterotricyclic compound; organooxygen compound | ||
| oxidopamine hydrochloride | |||
| cryptotanshinone | cryptotanshinone: from Salvia miltiorrhiza | abietane diterpenoid | anticoronaviral agent |
| 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. | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| epiberberine | epiberberine: isolated in plants of Coptis from China | ||
| isoindigotin | isoindigotin: used in treatment of chronic granulocytic leukemia; structure given in first source | ||
| tanshinone ii a | tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | abietane diterpenoid | |
| enniatin b | enniatin B : An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units. enniatins: cyclohexadepsipeptides containing valine, isoleucine & valeric acid from Fusarian; form complexes with cations & cellular membranes; there are at least three different enniatins H, B & C; minor descriptor (76-86); on-line & INDEX MEDICUS search PEPTIDES, CYCLIC (76-86); see also record for enniatin D, E, F | enniatin | antimicrobial agent |
| rubschisandrin | rubschisandrin: isolated from kernels of Schisandra rubriflora; structure given in first source | tannin | |
| sb 203580 | 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 | |
| sb 216763 | indoles; maleimides | ||
| enzastaurin | indoles; maleimides | ||
| erlotinib | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | |
| cilengitide | Cilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cells | oligopeptide | |
| l 734217 | L 734217: fibrinogen receptor antagonist; structure given in first source | ||
| diisooctyl phthalate | |||
| lapatinib | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
| sorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor | |
| l 778,123 | L-778,123 (free base) : A member of the class of imidazoles that is 1H-imidazole substituted by (4-cyanophenyl)methyl and [4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl groups at positions 1 and 5, respectively. It is a dual inhibitor of FPTase and GGPTase-I. | imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor |
| n-phenylacrylamide | N-phenylacrylamide: structure in first source | ||
| nsc 36398 | NSC 36398: structure in first source | ||
| 2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline | aromatic ether; substituted aniline | ||
| beta-thujone | (-)-alpha-thujone : The (1S,4R,5R)-stereoisomer of alpha-thujone. alpha-thujone : The rel-(1R,4S,5S)-stereoisomer of thujone. thujone : A thujane monoterpenoid that is thujane substituted by an oxo group at position 3. | alpha-thujone | |
| nsc 95397 | 1,4-naphthoquinones | ||
| 1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one | chalcones | ||
| 2-(2,4-dichlorophenoxy)-N-(3-pyridinyl)acetamide | dichlorobenzene | ||
| 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea | ureas | ||
| 2-[[[4-(methylthio)anilino]-oxomethyl]amino]benzamide | ureas | ||
| nsc228155 | |||
| hematoxylin | haematoxylin | ||
| 1,3(2h,4h)-isoquinolinedione | 1,3(2H,4H)-isoquinolinedione: structure in first source | ||
| 4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | trihydroxyanthraquinone | ||
| paullone | paullone : An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6. paullone: structure in first source | indolobenzazepine; lactam | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
| nsc668394 | |||
| meridianin g | meridianin G: from the tunicate Aplidium meridianum; structure in first source | ||
| 5-iodoindirubin-3'-monoxime | 5-iodoindirubin-3'-monoxime: inhibits GSK-3beta | ||
| 7-(4-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | methoxybenzenes | ||
| n,n-dimethyldaunorubicin | |||
| lithium chloride | lithium chloride : A metal chloride salt with a Li(+) counterion. Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator. | inorganic chloride; lithium salt | antimanic drug; geroprotector |
| 2H-pyrazolo[4,3-b]quinoxalin-3-amine | quinoxaline derivative | ||
| s-adenosylhomocysteine | S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine. S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions. | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
| naringenin | (S)-naringenin : The (S)-enantiomer of naringenin. | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
| tosylphenylalanyl chloromethyl ketone | N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process. | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
| saquinavir | saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A. | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
| cyclopamine | piperidines | glioma-associated oncogene inhibitor | |
| doxorubicin hydrochloride | anthracycline | ||
| tretinoin | all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE). | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
| oleic acid | oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed) | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
| pd 173955 | PD 173955: inhibits src family-selective tyrosine kinase; structure in first source | aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine | tyrosine kinase inhibitor |
| t0901317 | T0901317: an LXRalpha and LXRbeta agonist | ||
| n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea | N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source | ||
| 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. | aromatic amide | |
| bms 214662 | 7-cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine: a farnesyltransferase inhibitor; structure in first source BMS-214662 : A member of the class of benzodiazepines that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine substituted by (1H-imidazol-5-yl)methyl, benzyl, (thiophen-2-yl)sulfonyl, and cyano groups at positions 1, 3R, 4 and 7, respectively. It is a potent inhibitor of farnesyltransferase (IC50 = 1.35nM) which was under clinical development for the treatment of solid tumors. | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| 7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine | |||
| 6-bromoindirubin-3'-oxime | 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. 6-bromoindirubin-3'-oxime: structure in first source | ||
| purvalanol b | purvalanol B: protein kinase inhibitor; structure in first source | purvalanol | protein kinase inhibitor |
| repsox | RepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrect | pyrazolopyridine | |
| h 89 | (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration. N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor. | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
| trimethylcolchicinic acid | |||
| visnadin | |||
| purvalanol a | 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer; | purvalanol | |
| 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| (2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester | phenylalanine derivative; tert-butyl ester | ||
| meso-dihydroguaiaretic acid | meso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta. | guaiacols; lignan | plant metabolite |
| 3-methoxycinnoline | cinnolines | ||
| hei 713 | |||
| 2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline | 2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd | ||
| idarubicin hydrochloride | anthracycline | ||
| 2'-hydroxychalcone | 2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'. | chalcones; phenols | anti-inflammatory agent |
| 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone | aromatic ketone | ||
| dibenzylidene acetone | dibenzylidene acetone: structure in first source | ||
| cardamonin | cardamonin: found in Zingiberaceae; structure in first source | chalcones | |
| s 1033 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | |
| calmidazolium | calmidazolium chloride : The organic choride salt of calmidazolium. | organic chloride salt | apoptosis inducer; calmodulin antagonist |
| 6-amino-2-methyl-8-phenyl-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | aralkylamine | ||
| 3-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylpropanamide | benzoxazole | ||
| 2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester | aryl sulfide | ||
| 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile | phenols | ||
| N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide | anilide | ||
| N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamide | sulfonamide | ||
| 8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile | piperazines; pyridines | ||
| 5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine | aromatic ether | ||
| 2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
| 2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
| 2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester | quinoxaline derivative | ||
| 2-[5-[(2,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine | triazoles | ||
| 2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl ester | quinoxaline derivative | ||
| (4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanone | aromatic ketone | ||
| 9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one | pyridopyrimidine | ||
| (3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione | pyrrolidines | ||
| Glyceryl lactopalmitate | pyrazoles; ring assembly | ||
| 2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenylacetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 7-chloro-5-(4-morpholinyl)-2,1,3-benzoxadiazol-4-amine | benzoxadiazole | ||
| ag-213 | tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells; | ||
| N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide | thioureas | ||
| N-(4-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide | aromatic amide | ||
| 4-phenyl-N-(3-pyridinyl)-2-thiazolamine | aminopyridine | ||
| n-phenyl-n'-2-pyridylthiourea | N-phenyl-N'-2-pyridylthiourea: structure in first source | ||
| 1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazine | piperazines | ||
| LSM-34582 | anthracenes | ||
| acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester | benzoate ester; phenols | ||
| vu0099704 | VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source | ||
| 4-(2-furanylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione | triazoles | ||
| N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | naphthalenecarboxamide | ||
| [3-fluoro-4-(4-morpholinyl)phenyl]-(4-methylphenyl)methanone | benzophenones | ||
| 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione | maleimides | ||
| 1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol | naphthols | ||
| 3-amino-4-(4-chlorophenyl)-6-cyclopropyl-2-thieno[2,3-b]pyridinecarbonitrile | phenylpyridine | ||
| 2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid | benzamides | ||
| N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide | benzothiazoles | ||
| 2-[[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]propanedinitrile | sulfonamide | ||
| 3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide | sulfonamide | ||
| 2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione | cyclic ketone; indanones | ||
| 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide | sulfonamide | ||
| 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide | quinazolines | ||
| 2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide | benzamides | ||
| 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester | monocarboxylic acid | ||
| 4-acetamidobenzoic acid (2-chlorophenyl)methyl ester | amidobenzoic acid | ||
| 1-cyclohexyl-3-(3-ethylphenyl)urea | ureas | ||
| 1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one | C-nitro compound | ||
| N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]ethanamine | aryl sulfide | ||
| 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one | quinolines | ||
| 1-(phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea | thioureas | ||
| 2-(2-ethoxyphenyl)-5,6-dimethyl-1,3-dihydroisoindole | isoindoles | ||
| curcumin | curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes. | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
| N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide | ||
| 1-(1-naphthalenylmethoxy)benzotriazole | naphthalenes | ||
| umi-77 | UMI-77: an Mcl-1 inhibitor; structure in first source | ||
| 3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide | aromatic amide | ||
| N-[(3-acetylanilino)-sulfanylidenemethyl]-5-bromo-3-pyridinecarboxamide | thioureas | ||
| 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl ester | aminoquinoline | ||
| (4-anilino-1,1-dioxo-2H-1$l^{6},2-benzothiazin-3-yl)-phenylmethanone | benzothiazine | ||
| 2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide | benzamides | ||
| 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-naphthalenecarboxamide | naphthalenecarboxamide | ||
| N-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide | piperazines | ||
| [4-(2-methoxyphenyl)-1-piperazinyl]-[5-(4-methylphenyl)-3-isoxazolyl]methanone | piperazines | ||
| 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamide | aromatic amide | ||
| N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | aromatic amide; furans | ||
| 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid | amidobenzoic acid | ||
| (E)-4-Phenyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylic acid | thiophenecarboxylic acid | anticoronaviral agent | |
| N-(2-furanylmethyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine | morpholines | ||
| rhodanine | 2-mercaptothiazolinone: metabolite in urine from persons exposed to CS2; structure | thiazolidinone | |
| 5-(2,4-dichlorophenyl)-N-(4-methyl-2-thiazolyl)-2-furancarboxamide | dichlorobenzene | ||
| N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide | quinolines | ||
| 2',4',6'-Trihydroxydihydrochalcone | chalcones | ||
| 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone | methoxybenzenes; substituted aniline | ||
| (4-chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone | piperazines; pyridines | ||
| 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide | sulfonamide | ||
| 1-[[4-(dimethylamino)phenyl]methyl]-1-(2-furanylmethyl)-3-(4-methoxyphenyl)thiourea | thioureas | ||
| N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
| N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
| 6,8-dimethyl-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-2-(2-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
| 4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide | benzamides | ||
| 2-[[[3-methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid | benzamides | ||
| 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester | aromatic amide; isopropyl ester; secondary carboxamide | ||
| 1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morpholinyl)phenyl]thiourea | morpholines | ||
| N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide | aromatic ether | ||
| 4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide | C-nitro compound | ||
| N-cycloheptyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzamide | amidobenzoic acid | ||
| N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamide | aryl sulfide | ||
| N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | quinolines | ||
| [4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone | N-arylpiperazine | ||
| 2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide | (trifluoromethyl)benzenes | ||
| 5-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole | thiazoles | ||
| 3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone | aryl sulfide | ||
| 3-phenyl-2H-1,4-benzoxazine | benzoxazine | ||
| 2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dione | sulfonamide | ||
| 3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridinyl)amino]methyl]benzamide | benzoic acids | ||
| 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| N-[4-(4-fluorophenyl)-2-thiazolyl]-4-methylbenzenesulfonamide | sulfonamide | ||
| epalrestat | epalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. | monocarboxylic acid; thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| 4-hydroxyphenylmethylene hydantoin | 4-hydroxyphenylmethylene hydantoin: isoalted from the Red Sea sponge Hemimycale arabica; structure in first source | ||
| 1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea | benzenes | ||
| 1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid | piperidines | ||
| chlorogenic acid | caffeoylquinic acid: Antiviral Agent; structure in first source chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | cinnamate ester; tannin | food component; plant metabolite |
| 6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione | pyrazoles; ring assembly | ||
| N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide | carbazoles | ||
| xl147 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide | quinoxaline derivative | ||
| (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine | benzothiazoles | ||
| 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester | phthalazines | ||
| N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide | quinolines | ||
| 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester | quinolines | ||
| 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone | aromatic ketone | ||
| 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid | quinolines | ||
| 4,5-dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester | methoxybenzoic acid | ||
| 2,6-dichloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide | sulfonamide | ||
| 2-[3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolinyl]-N-(4-fluorophenyl)acetamide | aromatic ketone; quinolines | ||
| 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | morpholines; pyrimidone; secondary carboxamide; tertiary amino compound | ||
| 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide | pyrazoles; secondary carboxamide; trifluoroacetamide | ||
| 2-bromo-N-[3-(1-oxopentylamino)phenyl]benzamide | benzamides | ||
| N-[4-(dibutylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide | sulfonamide | ||
| N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester | carboxylic ester | ||
| 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamide | quinolines | ||
| N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide | amidobenzoic acid | ||
| 2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | flavones; tert-butyl ester | ||
| 2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester | nitrobenzoic acid | ||
| 1-(3-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea | sulfonamide | ||
| 2-(2-chlorophenyl)-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamide | quinolines | ||
| 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamide | aryl sulfide | ||
| 2-pyridin-4-yl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide | aromatic amide | ||
| 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester | sulfonamide | ||
| 3-[(4-methyl-1-piperazinyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)benzamide | sulfonamide | ||
| (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester | depsipeptide | ||
| 2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | sulfonamide | ||
| [4-(2-ethoxyphenyl)-1-piperazinyl]-(1-oxido-4-pyridin-1-iumyl)methanone | piperazines | ||
| N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine | pyrazoles; ring assembly | ||
| 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester | pyrazoles; ring assembly | ||
| 2-chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone | aromatic ketone | ||
| (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester | secondary carboxamide | ||
| 2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone | aryl sulfide | ||
| N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamide | quinoxaline derivative | ||
| 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester | depsipeptide | ||
| 5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester | carboxylic ester | ||
| 4-methyl-N'-(4-quinazolinyl)benzohydrazide | quinazolines | ||
| 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester | benzamides | ||
| 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridazinone | aromatic ketone | ||
| N-[3-(4-morpholinyl)propyl]-3-(3-pyridinyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine | organonitrogen heterocyclic compound | ||
| 4-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide | benzamides | ||
| N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluorobenzamide | carbonyl compound; organohalogen compound | ||
| 3-(diethylsulfamoyl)-N-(3,5-dimethylphenyl)benzamide | benzamides | ||
| Pregnenolone acetate | steroid ester | ||
| 2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile | nitrile; pyridines | ||
| N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide | naphthothiazole | ||
| 1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea | tetrazoles | ||
| ccg 50014 | 4-(4-fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione: a regulator of G protein signaling (RGS) inhibitor; structure in first source | ||
| 3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one | pyrazoles | ||
| 3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
| 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile | biphenyls | ||
| 2-chloro-N-(7-methyl-9-oxo-2-thioxanthenyl)benzamide | thiochromane | ||
| LSM-20838 | pyrazolopyrimidine | ||
| 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester | sulfonamide | ||
| ssya10-001 | SSYA10-001: a helicase inhibitor with antiviral activity; structure in first source | ||
| 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid | alkylbenzene | ||
| 5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide | aromatic amide | ||
| N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(4-methylpiperazino)acetamide | amino acid amide | ||
| 3-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one | dimethoxybenzene | ||
| 2-{5-[2-(Phenylthio)acetyl]-2-thienyl}acetic acid | aryl sulfide | ||
| ale 0540 | ALE 0540: structure in first source | ||
| 2-(2-furanyl)-4-thiazolidinecarboxylic acid | organonitrogen compound; organooxygen compound | ||
| 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol | aromatic ether | ||
| 1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol | phenothiazines | ||
| N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide | sulfonamide | ||
| 2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione | isoquinolines | ||
| 1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone | olefinic compound | ||
| 4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide | sulfonamide | ||
| 1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea | ureas | ||
| 4-fluoro-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzamide | (trifluoromethyl)benzenes | ||
| 1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone | aromatic ketone | ||
| 2-[[(4-chlorophenyl)thio]methyl]-5-methylimidazo[1,2-a]pyridine | imidazopyridine | ||
| 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide | aromatic amide; heteroarene | ||
| N-[3-chloro-2-(1-piperidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide | benzamides | ||
| 5-(2-nitrophenyl)-N-(2-thiazolyl)-2-furancarboxamide | C-nitro compound | ||
| 2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
| 1-(benzenesulfonyl)-2-benzimidazolamine | sulfonamide | ||
| 1-(4-nitrophenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
| 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. | 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 |
| orlistat | orlistat : A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. Orlistat: A lactone derivative of LEUCINE that acts as a pancreatic lipase inhibitor to limit the absorption of dietary fat; it is used in the management of obesity. | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| sf 2370 | K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source | bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound | antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist |
| tandutinib | 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 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | |
| dasatinib | 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). N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
| ha 1100 | HA 1100: intracellular calcium antagonist | ||
| 7-epi-hydroxystaurosporine | |||
| asterric acid | asterric acid: structure given in first source; inhibits the binding of endothelin-1 to the ET(A) receptor of A10 cells | ||
| arginyl-glycyl-aspartyl-phenylalanine | |||
| zd 6474 | CH 331: structure in first source | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
| n-methylnandigerine | N-methylnandigerine: bioactive principle from the roots of Lindera megaphylla; RN given refers to (S)-isomer; RN for cpd without isomeric designation not avail 4/92; structure given in first source | ||
| n-(2-naphthalene)sulfonyl-dl-tryptophan | |||
| 9-hydroxyiminofluorene-2,7-disulfonamide | fluorenes | ||
| 4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester | organonitrogen compound; organooxygen compound | ||
| 2-[(4-chlorophenyl)-[2-[5-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]propanedinitrile | thiazoles | ||
| 5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine | C-nitro compound | ||
| 4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid | aromatic amide | ||
| 3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide | sulfonamide | ||
| N'-(9-acridinyl)-2-hydroxybenzohydrazide | acridines | ||
| 3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester | benzoate ester | ||
| 1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide | sulfonamide | ||
| CID 3192987 | N-arylpiperazine | anticoronaviral agent | |
| 4-(2-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol | piperidines | ||
| N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N',N'-dimethylpropane-1,3-diamine | pyrimidines | ||
| 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(4-methyl-2-thiazolyl)acetamide | benzimidazoles | ||
| 6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | quinazolines | ||
| 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide | anilide | ||
| 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide | quinazolines | ||
| LSM-18934 | monoterpenoid | ||
| 5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester | benzothiazoles | ||
| N,N-diethyl-4-[[5-oxo-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzenesulfonamide | sulfonamide | ||
| [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | ||
| 7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one | pyrrolopyridine | ||
| N-(3,4-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide | sulfonamide | ||
| 3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide | pyrrolidines | ||
| N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine | pyrimidines | ||
| 2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide | naphthalenes | ||
| 3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide | fatty amide | ||
| 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester | C-nitro compound; thiophenes | ||
| 2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
| 1-(6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea | thioureas | ||
| N-(4-methoxyphenyl)-2-(N-methylanilino)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide | amino acid amide | ||
| N-[4-(difluoromethoxy)phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamide | thioureas | ||
| 2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile | C-nitro compound; furans | ||
| 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide | sulfonamide | ||
| 2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde | azaphilone | ||
| 1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol | indoles | anticoronaviral agent | |
| 1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea | sulfonamide | ||
| N-cycloheptyl-4-(2-oxolanylmethoxy)benzamide | benzamides | ||
| 4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide | aromatic ketone | ||
| 2-methyl-5-[(4-phenyl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol | piperazines | ||
| 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine | pyrroles | ||
| 2-[4-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid methyl ester | benzoxazine | ||
| 6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(6-methyl-2-pyridinyl)-4-bicyclo[2.1.1]hexanecarboxamide | aromatic amide | ||
| 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione | oxopurine | ||
| 1-(phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea | tetralins | ||
| 3-methyl-2-methylene-1,5-diphenylpentane-1,5-dione | aromatic ketone | ||
| 1-ethyl-3-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]thiourea | benzimidazoles | ||
| 4-(5-bromo-2-thiophenyl)-6-methyl-2-(1-pyrrolyl)pyrimidine | thiophenes | ||
| 4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 3-benzoyl-1,5-bis(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione | pyrrolidines | ||
| 2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | dimethoxybenzene | anticoronaviral agent | |
| LSM-31277 | oxacycle | ||
| 4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one | pyrazoles; ring assembly | ||
| N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide | aromatic ether; C-nitro compound | ||
| 1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazole | methoxybenzenes | anticoronaviral agent | |
| or486 | OR486: structure given in first source | ||
| 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester | aromatic ketone | ||
| N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide | quinolines | ||
| 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester | (trifluoromethyl)benzenes | ||
| N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide | quinoxaline derivative | ||
| N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide | piperazines | ||
| 2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester | isoquinolines | ||
| 2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide | 1-benzopyran | ||
| N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide | quinoxaline derivative | ||
| 4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | benzenes | ||
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease. | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| 4-(3,4-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| sb 415286 | 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first source | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one | pyrazoles; ring assembly | ||
| 1-(5-methyl-2-furanyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione | chromones | ||
| 6-amino-5-cyano-2-[[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid methyl ester | naphthyridine derivative | ||
| 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(1-naphthalenylmethyl)-3-indolyl]methyl]-1,2-dihydropyrazol-3-one | naphthalenes | ||
| sch 79797 | quinazolines | ||
| 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4-thiazolidinone | dimethoxybenzene | ||
| 1-(5-nitro-2-thiophenyl)piperidine | C-nitro compound; thiophenes | ||
| N-[2-(2,4,6-trinitrophenyl)ethyl]aniline | C-nitro compound | ||
| 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide | anthraquinone | ||
| 2-furanyl-[4-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-thiophen-2-ylmethyl]-1-piperazinyl]methanone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one | imidazolidines | ||
| 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzodioxine; triazolothiadiazole | ||
| N2,N6-bis[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide | aromatic amide | ||
| 2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone | toluenes | anticoronaviral agent | |
| 2,6-difluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
| 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 | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 3-amino-4-[(4-chlorophenyl)thio]benzoic acid methyl ester | aryl sulfide | ||
| N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamide | imidazolidine-2,4-dione | ||
| 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester | C-nitro compound; thiophenes | ||
| 4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide | benzamides | ||
| 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester | benzofurans | ||
| 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester | C-nitro compound; thiophenes | ||
| 2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | alpha-amino acid ester | ||
| 2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamide | benzoic acids | ||
| 3,7-dichloro-N-[3-(1-imidazolyl)propyl]-6-methoxy-1-benzothiophene-2-carboxamide | 1-benzothiophenes | ||
| 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide | amino acid amide | ||
| 5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamine | aminopyridine | ||
| 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester | alpha-amino acid ester | ||
| 2-(2',5'-dioxo-1'-spiro[3,4-dihydro-2H-1-benzopyran-4,4'-imidazolidine]yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide | imidazolidine-2,4-dione | ||
| alsterpaullone | alsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole. alsterpaullone: structure in first source | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
| 3-[1-butyl-5-(diethylsulfamoyl)-2-benzimidazolyl]propanoic acid | benzimidazoles | ||
| 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 | benzamides | |
| N-(4-methoxyphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-2-furancarboxamide | naphthalenes | ||
| 2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]isoindole-1,3-dione | quinolines | ||
| 1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea | thioureas | ||
| 1-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea | sulfonamide | ||
| [5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone | furoic acid | ||
| 5,6-dimethyl-1-octyl-4-benzimidazolamine | benzimidazoles | ||
| 4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamide | benzamides | ||
| quercetin | 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 | |
| bergaptol | 5-hydroxyfurocoumarin : A furanocoumarin which bears a hydroxy group at position 5. | 5-hydroxyfurocoumarin; psoralens | |
| apigenin | Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | trihydroxyflavone | antineoplastic agent; metabolite |
| luteolin | 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 | |
| vitamin k semiquinone radical | vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase | ||
| retinol palmitate | all-trans-retinyl palmitate : An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis. retinol palmitate: RN given refers to parent cpd; structure retinyl palmitate : A palmitate ester of retinol with undefined geometry about the C=C bonds. | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
| luteolin-7-glucoside | luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
| quercetin 3-o-methyl ether | 3',4',5,7-tetrahydroxy-3-methoxyflavone : A tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position. quercetin 3-O-methyl ether: from Rhamnus species; structure in first source | monomethoxyflavone; tetrahydroxyflavone | antimicrobial agent; metabolite |
| vitamin d 2 | Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa. | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
| kaempferol | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite | |
| harmine | harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's. | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
| sulfuretin | sulfuretin: the chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl | 1-benzofurans | |
| daphnoretin | daphnoretin : A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. daphnoretin: isolated from the whole plant Wikstroemia indica | aromatic ether; hydroxycoumarin | antineoplastic agent; antiviral agent; metabolite |
| amentoflavone | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite | |
| baicalein | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger | |
| chrysin | chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
| fisetin | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite | |
| morusin | morusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. morusin: from Morus root bark; structure given in first source | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
| myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
| myricitrin | myricitrin : A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity. myricitrin: isolated from root bark of Myrica cerifera L.; structure | alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
| wogonin | wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. wogonin: structure in first source | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
| acteoside | acteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae) | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
| rottlerin | rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1); | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
| ellagic acid | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent | |
| tectochrysin | tectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. tectochrysin: structure in first source | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
| astragalin | kaempferol 3-O-beta-D-glucoside : A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. kaempferol-3-O-glucoside: isolated from the pit of Mahkota dewa; structure in first source | beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | plant metabolite; trypanocidal drug |
| n-oleoyldopamine | N-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist. N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
| menatetrenone | menaquinone-4 : A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
| indocyanine green | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | ||
| prostaglandin f2 methyl ester | prostaglandin F2 methyl ester: has ocular hypotensive effect; RN given refers to (5Z,9alpha,11alpha,13E,15S)-isomer | prostanoid | |
| cyclosporine | ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
| phenoxybenzamine hydrochloride | organic molecular entity | ||
| acitretin | acitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9. Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate. | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
| estropipate | estropipate: used therapeutically in menopausal patients | piperazinium salt; steroid sulfate | |
| vitamin k 1 | phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
| sirolimus | sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties. | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
| alvocidib | alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. alvocidib: structure given in first source | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| fenretinide | 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. Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent. | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
| morphine | Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn. | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
| su 9516 | |||
| 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide | N-alkylpyrrolidine | ||
| 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone | isoquinolines | ||
| 2-[[oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester | aromatic amide | ||
| 1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide | 1,3-oxazoles | ||
| N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide | piperazines | ||
| N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide | piperidines | ||
| 5-[(4-methoxyphenyl)sulfonylmethyl]-N-(3-methoxypropyl)-2-furancarboxamide | sulfonamide | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide | triazoles | ||
| 5-amino-1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-4-triazolecarboxamide | aromatic amide | ||
| 6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinone | piperazines | ||
| 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide | sulfonamide | ||
| 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-7-triazolo[4,5-d]pyrimidinone | triazoles | ||
| 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. | ||
| salazinic acid | salazinic acid: lichen metabolite; structure in first source | ||
| 4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid | quinolines | ||
| ag 538 | AG 538: an IGF-1 receptor kinase inhibitor; structure in first source | ||
| tyrphostin ag 555 | |||
| ag 183 | AG 183: structure given in first source | ||
| bosutinib | 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first source | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
| 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. | 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 |
| orantinib | orantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. orantinib: an antiangiogenic agent | ||
| su 11248 | 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 | 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 | sulfonamide | ||
| 5,7-dihydroxy-4-methylcoumarin | hydroxycoumarin | ||
| cefixime | cephalosporin | antibacterial drug; drug allergen | |
| thunberginol b | thunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source | ||
| vx680 | N-arylpiperazine | ||
| quinaldine red | quinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure | ||
| 2-(dimethylaminostyryl)-1-ethylpyridinium | cyanine dye; organic iodide salt | ||
| chloride of pseudoisocyanine | 1,1'-diethyl-2,2'-cyanine halide; organic chloride salt | ||
| gw-5074 | |||
| [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone | piperazines; pyridines | ||
| 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone | aromatic ketone | ||
| 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-(3-methylphenyl)acetamide | anilide | ||
| N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine | morpholines | ||
| GSK3-XIII | GSK3-XIII : A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups. | aromatic amine; pyrazoles; quinazolines; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
| hesperidin | flavonoids; glycoside | ||
| cyc 116 | 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | ||
| lasalocid sodium | lasalocid sodium : The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry. | benzoates; organic sodium salt | coccidiostat; ionophore |
| sclerotiorin | sclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first source | azaphilone | |
| chaetoglobosin A | cytochalasan alkaloid; epoxide; indoles; macrocycle; secondary alpha-hydroxy ketone | Chaetomium metabolite | |
| kolavenic acid | kolavenic acid: from Polyalthia longifolia; structure given in first source; RN given refers to (1S-(1alpha(E),2beta,4abeta,8aalpha))-isomer; RN for cpd without isomeric designation not avail 3/92 | ||
| everolimus | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor | |
| ekb 569 | EKB 569: an EGF receptor kinase inhibitor | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
| fomene | |||
| axitinib | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | |
| 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea | ureas | ||
| N-[3-(7-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxamide | aromatic amide | ||
| manzamine a | manzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). manzamine A: RN given refers to (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92 | alkaloid; beta-carbolines; isoquinolines | animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite |
| 1-azakenpaullone | 1-azakenpaullone : An organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively. | lactam; organic heterotetracyclic compound; organobromine compound; organonitrogen heterocyclic compound | EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
| 2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole | aryl sulfide | ||
| 2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester | naphthalenes; sulfonic acid derivative | ||
| 2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid | acridines | ||
| (2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide | indoles | ||
| temsirolimus | macrolide lactam | ||
| pd 184352 | 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source | aminobenzoic acid | |
| on 01910 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group. ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
| 13-epi-sclareol | 13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source | ||
| N-(5-methyl-3-isoxazolyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamide | pyridazines; ring assembly | ||
| n-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide | N-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide: a KCC2 cotransporter antagonist | pyridazines; ring assembly | |
| tws 119 | pyrroles | ||
| 4-[[[4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | benzothiazine | ||
| N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine | imidazoles | ||
| 6-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide | pyrazolopyrimidine | ||
| jnj 10198409 | |||
| av 412 | |||
| telatinib | |||
| y-39983 | Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first source | pyrrolopyridine | |
| 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 | ||
| bms345541 | 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first source | quinoxaline derivative | |
| 6-methylsulfinylhexyl isothiocyanate | 6-(Methylsulfinyl)hexyl isothiocyanate: showed a dose-dependent inhibition of LPS-induced nitric oxide (NO), iNOS mRNA and protein. | sulfoxide | |
| 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. | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
| pd 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). | 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. | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
| seryl-leucyl-isoleucyl-glycyl--arginyl-leucinamide | seryl-leucyl-isoleucyl-glycyl--arginyl-leucinamide: a proteinase-activated receptor-2-activating peptide; SL-NH2 is NOT Ser-Leu-NH2 here | ||
| tapentadol | Tapentadol: An opioid analgesic, MU OPIOID RECEPTOR agonist, and noradrenaline reuptake inhibitor that is used in the treatment of moderate to severe pain, and of pain associated with DIABETIC NEUROPATHIES. | alkylbenzene | |
| o-demethyltramadol | alkylbenzene; ring assembly | ||
| px-866 | PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source | acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| cyclic(arg-gly-asp-d-phe-val) | |||
| mk-0429 | |||
| rwj-56110 | RWJ-56110: a PAR-1 antagonist; structure in first source | ||
| ripasudil | isoquinolines | ||
| mocetinostat | 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). mocetinostat: undergoing phase II clinical trials for treatment of cancer | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
| osi 930 | OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | aromatic amide | |
| ki 20227 | |||
| 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. | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| cp 724714 | 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
| qx-314 bromide | |||
| (S)-fluoxetine hydrochloride | (S)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid. | hydrochloride | antidepressant; serotonin uptake inhibitor |
| pi103 | PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| pd 90780 | PD 90780: a nonpeptide inhibitor of nerve growth factor; structure given in first source | ||
| hmn-214 | (E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source | ||
| 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 | aromatic ether | |
| tr 14035 | N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source | ||
| hki 272 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor | |
| lissamine rhodamine b | lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion. | organic sodium salt | fluorescent probe; fluorochrome; histological dye |
| 3,9-bis((ethylthio)methyl)-k-252a | 3,9-bis((ethylthio)methyl)-K-252a: RN given for (9S-(9alpha,10beta,12alpha))-isomer; mixed lineage kinase inhibitor, neuroprotective agent, and neurotrophic agent derived from K-252a; structure in first source | ||
| 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. | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | |||
| hypothemycin | hypothemycin : A macrolide that is isolated from the cultured broth of Hypomyces subiculosus and shows antifungal activity and inhibits the growth of some human cancer cells. hypothemycin: a resorcylic acid lactone antibiotic; antifungal metabolite from Hypomyces trichothecoides | aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone | antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite |
| cediranib | aromatic ether | ||
| chir 99021 | 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. Chir 99021: structure in first source | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
| 1-(2-cyano-3,12-dioxooleana-1,9-dien-28-oyl) imidazole | |||
| bio 1211 | BIO 1211: integrin alpha4beta1 inhibitor; structure in first source | ||
| incb3344 | INCB3344: potent and selective small molecule CCR2 chemokine receptor antagonist | ||
| ly2090314 | LY-2090314 : A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer. | diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
| leucettamine b | leucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source | ||
| masitinib | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | |
| vorapaxar | vorapaxar : A carbamate ester that is the ethyl ester of [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethynyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamic acid. A protease-activated receptor-1 antagonist used (as its sulfate salt) for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation. vorapaxar: has antiplatelet activity; structure in first source | carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines | cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist |
| ly-2157299 | LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
| pazopanib | 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. pazopanib: a protein kinase inhibitor | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
| azd 6244 | AZD 6244: a MEK inhibitor | 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 |
| su 14813 | 5-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source | ||
| azd2858 | aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide | antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator | |
| bibw 2992 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor | |
| 9-hydroxycanthin-6-one | 9-hydroxycanthin-6-one : An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 9. Isolated from the roots of Eurycoma longifolia, it exhibits antineoplastic activity. 9-hydroxycanthin-6-one: from Eurycoma longifolia Jack (Simaroubaceae), induces penile erection and delays ejaculation | ||
| pik 75 | PIK 75: structure in first source | ||
| binimetinib | binimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib. | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| sotrastaurin | sotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source | indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines | anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent |
| aee 788 | AEE 788: structure in first source | 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 |
| garcinone e | garcinone E: has potent cytotoxic effect against hepatocellular carcinoma cell lines; structure in first source | xanthones | |
| saracatinib | 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 | |
| vx 702 | VX 702: a p38 MAP kinase inhibitor | phenylpyridine | |
| crenolanib | 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 | |
| 2-furoyl-ligrlo-amide | 2-furoyl-LIGRLO-amide: a potent and selective proteinase-activated receptor 2 agonist | ||
| biapigenin | biapigenin: bis-apigenin coupled at 3' & 3' positions; inhibits various cytochrome P450 enzymes; isolated from St. John's Wort | flavonoid oligomer | |
| meridianin a | meridianin A: structure in first source | ||
| tg100-115 | 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first source | pteridines | |
| cc 401 | CC 401: an anthrapyrazolone | pyrazoles; ring assembly | |
| bms 599626 | |||
| exel-7647 | tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties. | ||
| e 5555 | E 5555: a 2-iminopyridine derivative and platelet aggregation inhibitor | aromatic ketone | |
| volasertib | BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source | ||
| pha 665752 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
| l 783277 | |||
| azd 7762 | aromatic amide; thiophenes | ||
| regorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor | |
| acetyl-11-ketoboswellic acid | acetyl-11-ketoboswellic acid: a 5-lipoxygenase inhibitor; structure given in first source | triterpenoid | |
| 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | methoxybenzenes; substituted aniline | ||
| brivanib | 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 | |
| mp470 | N-arylpiperazine | ||
| rgb 286638 | |||
| np 031112 | tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. tideglusib: an NSAID and neuroprotective agent | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| at 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. | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| bms-690514 | |||
| bi 2536 | |||
| inno-406 | biaryl | ||
| nvp-ast487 | NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells | ||
| kw 2449 | KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source | ||
| danusertib | piperazines | ||
| N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide | benzamides | ||
| nvp-aew541 | |||
| abt 869 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| azd 8931 | sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. | aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
| arq 197 | indoles | ||
| 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. | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
| pf 00299804 | dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. dacomitinib: a pan-ERBB inhibitor | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| ridaforolimus | macrolide lactam | ||
| ch 4987655 | |||
| 6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamide | phenylpyridine | ||
| cc-930 | |||
| pf 573228 | 6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first source | quinolines | |
| gw 2580 | 5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source | ||
| tak 285 | N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source | ||
| idelalisib | 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. idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| crizotinib | 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) Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER. | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-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 | 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 | aromatic amide; heteroarene | |
| osi 906 | cyclobutanes; quinolines | ||
| zstk474 | ZSTK-474 : A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase. | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| 4-cyano-N-[4-(4-methyl-1-piperazinyl)-2-(4-methyl-1-piperidinyl)phenyl]-1H-pyrrole-2-carboxamide | aromatic amide | ||
| chir-265 | aromatic ether | ||
| motesanib | pyridinecarboxamide | ||
| fostamatinib | fostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406 | ||
| chromazonarol | |||
| jnj 28312141 | |||
| trametinib | 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 | |
| mln8054 | benzazepine | ||
| pf-562,271 | indoles | ||
| pha 767491 | PHA 767491: a Cdc7 inhibitor; structure in first source | pyrrolopyridine | |
| GDC-0879 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor | |
| sesone | 7-deazaxanthine: structure in first source | ||
| jnj-26483327 | JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010 | ||
| ly2603618 | ureas | ||
| calcimycin | Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems. | benzoxazole | |
| 2-hydroxyapomorphine, (r)-isomer | |||
| 4-iodoclonidine | |||
| N-[5-[2-(5-chloro-2-methylanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide | thiazoles | ||
| tg100801 | |||
| dactolisib | 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. dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| bgt226 | 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. BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor. | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| [5-Chloranyl-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] ethanoate | azaphilone | ||
| 2-diethylaminoethyl 4-nitrobenzoate hydrochloride | |||
| (3E,9E)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione | cytochalasin | fungal metabolite | |
| dehydrocurvularin | macrolide | ||
| malyngamide A | dicarboximide | metabolite | |
| 3,6-diamino-10-methylacridinium chloride hydrochloride | 3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. | hydrochloride | antibacterial agent; antiseptic drug; carcinogenic agent; intercalator |
| microcolin a | microcolin A: structure given in first source; isolated from the blue-green alga Lyngbya majuscula | ||
| [4-(diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone | diarylmethane | ||
| gsk 461364 | GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | (trifluoromethyl)benzenes | |
| azd 1152-hqpa | AZD2811: has antineoplastic activity; structure in first source | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
| 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| 3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide | anilide | ||
| nvp-tae684 | piperidines | ||
| enmd 2076 | ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities | ||
| e 7050 | aromatic ether | ||
| 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone | pyrazolopyridine | ||
| tak-901 | |||
| 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione | benzenes | ||
| 2-[4-[(6-ethoxy-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol | quinolines | ||
| GS4012 | GS4012 : A hydrochloride obtained by combining the free base of GS4012 with one molar equivalent of hydrochloric acid. | hydrochloride; pyridinium salt | VEGF activator |
| 1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea | piperazines; pyridines | ||
| 7-methyltryptamine hydrochloride | |||
| 2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxo-3-pyrrolo[3,4-d]pyridazinyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide | anilide | ||
| (2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester | leucine derivative; tert-butyl ester | ||
| (2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester | secondary carboxamide; tert-butyl ester | ||
| (2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) ester | leucine derivative | ||
| quercetin | |||
| gdc-0973 | cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. cobimetinib: has antineoplastic activity; structure in first source | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| [5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
| 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| buparlisib | NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| azd 1480 | |||
| azd8330 | pyridinecarboxamide | ||
| xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside | O-acyl carbohydrate | ||
| 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 | ||
| ro5126766 | CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. RO5126766: a dual MEK/RAF kinase inhibitor | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| fedratinib | fedratinib: a selective small-molecule inhibitor of JAK2 | sulfonamide | |
| gsk690693 | 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 | |
| WAY-316606 | WAY-316606 : A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1). | (trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone | secreted frizzled-related protein 1 inhibitor |
| 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene | 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source | ||
| 6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde | dihydroxybenzaldehyde; polyketide | ||
| 2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-pyridinecarboxamide | benzamides | ||
| 4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester | aromatic amide; tert-butyl ester | ||
| azd5438 | sulfonamide | ||
| 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea | monoterpenoid | ||
| cct 128930 | |||
| pf 04217903 | quinolines | ||
| gdc 0941 | pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| 2,3,4,10-tetrahydro-7,10-dimethyl-2,4-dioxobenzo(g)pteridine | flavin | ||
| N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamide | aromatic ketone | ||
| icotinib | |||
| ph 797804 | 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. PH 797804: an NSAID; structure in first source | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 2-(4-fluorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| kx-01 | |||
| 4'-epichaetoviridin A | 4'-epichaetoviridin A : An azaphilone that is the 4'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum. | azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol | Chaetomium metabolite |
| montelukast sodium | organic sodium salt | ||
| cyclic amp, monosodium salt | |||
| calcium dobesilate monopotassium salt | potassium dobesilate: for topical treatment of actinic keratoses | ||
| acid blue 129 | |||
| cortisol succinate, sodium salt | hydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na salt | organic molecular entity | |
| cym51010 | CYM51010: structure in first source | ||
| plx 4720 | PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first source | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
| N-[5-Ethyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride | N-acyl-amino acid | anticoronaviral agent | |
| N-[5-Bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride | N-acyl-amino acid | anticoronaviral agent | |
| mk 5108 | aromatic ether | ||
| cx 4945 | |||
| cudc 101 | 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source | ||
| N-[5-Fluoro-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride | N-acyl-amino acid | anticoronaviral agent | |
| arry-614 | pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein | ||
| tak 593 | TAK 593: structure in first source | ||
| mln 8237 | MLN 8237: an aurora kinase A inhibitor | benzazepine | |
| sgx 523 | 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 | 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 | aromatic amide | |
| sgi 1776 | SGI 1776: a Pim kinase inhibitor; structure in first source | imidazoles | |
| pci 32765 | 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. ibrutinib: a Btk protein inhibitor | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| ponatinib | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor | |
| amg 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 | ||
| (3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
| (5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine | substituted aniline | ||
| mk-1775 | adavosertib: a Wee1 kinase inhibitor; structure in first source | piperazines | |
| AMG-208 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
| quizartinib | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor | |
| at13148 | |||
| tak 733 | |||
| mk 2206 | MK 2206: a protein kinase inhibitor and antineoplastic agent | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| sns 314 | SNS 314: an aurora kinase inhibitor; structure in first source | ureas | |
| bi d1870 | |||
| lucitanib | E-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine. E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
| pf-04691502 | |||
| n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | 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. N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| dcc-2036 | rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
| cabozantinib | 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. cabozantinib: a multikinase inhibitor | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
| defactinib | |||
| ly2584702 | |||
| incb-018424 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
| poziotinib | HM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric cancer | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
| asp3026 | ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties. ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
| entrectinib | entrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| pexidartinib | pexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT). pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| TAK-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. | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
| gsk 2126458 | 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. omipalisib: inhibitor of mTOR protein | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
| emd1214063 | tepotinib: MET inhibitor | ||
| gsk 1838705a | organonitrogen compound; organooxygen compound | ||
| (1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine | WAY-262611: a wingless beta-catenin agonist; structure in first source | naphthalenes | |
| 3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione | 3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione: inhibits GSK-3beta; structure in first source | maleimides; organonitrogen compound; organooxygen compound | |
| pf 3758309 | PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| N-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]methyl]-2,6-difluorobenzenesulfonamide | sulfonamide | ||
| N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-pyrrolidinyl]-2,6-difluorobenzenesulfonamide | sulfonamide | ||
| gdc 0980 | |||
| azd2014 | vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source | ||
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
| LSM-27979 | pyrrolidines | ||
| plx4032 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | |
| gsk 1363089 | GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source | aromatic ether | |
| arry-334543 | ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source | ||
| kin-193 | pyridopyrimidine | ||
| mk 2461 | |||
| 6-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
| 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | quinazolines | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine | biphenyls; thienopyrimidine | ||
| 5-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| bay 869766 | |||
| as 703026 | pyridinecarboxamide | ||
| 1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea | ureas | ||
| baricitinib | 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 | |
| 2-bromo-6-[(2,4-difluorophenyl)methyl]-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| manzamine e | manzamine E: from an Indonesian Acanthostrongylophora sponge with activity against infectious, tropical parasitic, and Alzheimer's diseases; structure in first source | ||
| N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide | hydroxyquinoline | ||
| dabrafenib | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor | |
| pki 587 | gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
| n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | merestinib: in phase I clinical trials (2013); structure in first source | ||
| ribociclib | ribociclib: inhibits both CDK4 and CDK6 | ||
| 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,3-dichloro-1H-indol-2-one | aromatic ketone | ||
| mk-8033 | 1-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source | ||
| pha 793887 | piperidinecarboxamide | ||
| tak-632 | TAK-632 : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively. | (trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor |
| gsk 2334470 | GSK 2334470: a PDK1 inhibitor; structure in first source | indazoles | |
| sb 1518 | |||
| abemaciclib | |||
| mk-8776 | |||
| afuresertib | amphetamines | ||
| gsk 1070916 | GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activity | pyrazoles; ring assembly | |
| jnj38877605 | quinolines | ||
| dinaciclib | pyrazolopyrimidine | ||
| nms p937 | NMS P937: a polo-like kinase 1 inhibitor; structure in first source | ||
| gilteritinib | gilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| alectinib | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| glpg0634 | |||
| nms-p118 | NMS-P118: a PARP-1 inhibitor; structure in first source | ||
| encorafenib | encorafenib: a BRAF inhibitor | ||
| bms-911543 | N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source | ||
| gsk2141795 | GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source | ||
| sphaeropsidin a | sphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first source | gamma-lactone | metabolite |
| azd8186 | |||
| chir 98014 | aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator | |
| 7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine | 7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine: inhibits protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK); structure in first source | ||
| dcc-2701 | DCC-2701: inhibits c-Met protein, TIE-2 protein, and vascular endothelial growth factor receptor | ||
| oxytetracycline, anhydrous | oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae. Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions. | ||
| N-(2-aminophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamide | aromatic amide | ||
| methacycline monohydrochloride | |||
| palinurin | palinurin: an NSAID with antibacterial activity; isolated from Ircinia species; structure in firs t source | ||
| urmc-099 | URMC-099: inhibits mixed lineage kinase 3 | ||
| byl719 | proline derivative | ||
| cep-32496 | agerafenib: inhibitor of RAF family kinases; structure in first source | ||
| rociletinib | rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source | ||
| ceritinib | ceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. ceritinib: an anaplastic lymphoma kinase inhibitor | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| azd1208 | |||
| cfi-400945 | |||
| vx-509 | |||
| vx-970 | berzosertib: an ATR kinase inhibitor | sulfonamide | |
| epz005687 | EPZ005687: inhibits EZH2 protein; structure in first source | indazoles | |
| debio 1347 | CH5183284: a fibroblast growth factor receptor antagonist; structure in first source | ||
| epz-6438 | tazemetostat: a histone methyltransferase EZH2 inhibitor with antineoplastic activity | ||
| vx-787 | pimodivir: non‐nucleotide inhibitor of the polymerase basic protein 2 (PB2) subunit of the influenza A that is active against H1N1, H7N9 and H5N1, as well as influenza A strains with reduced susceptibility to NAIs | ||
| gsk-2816126 | GSK-2816126: inhibits EZH2 methyltransferase; structure in first source | piperazines; pyridines | |
| volitinib | |||
| chr-6494 | |||
| gsk343 | 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). GSK343: an EZH2 methyltransferase inhibitor | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
| osimertinib | osimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. osimertinib: an EGFR tyrosine kinase inhibitor | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| 1-[(1R)-1-(1-ethylsulfonyl-4-piperidinyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-indolecarboxamide | (R)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide: EZH2 inhibitor | indolecarboxamide | |
| pf-06463922 | lorlatinib : A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer. lorlatinib: inhibits both anaplastic lymphoma kinase and c-ros oncogene 1 (ROS1) protein | aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| glutaminase | |||
| unc2025 | UNC2025: inhibits both MER and FLT3 kinases; structure in first source | ||
| CCT251545 | CCT251545 : A chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19. CCT251545: a Wnt signaling inhibitor; structure in first source | azaspiro compound; chloropyridine; pyrazoles | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor |
| AZ3451 | benzimidazoles; benzodioxoles; nitrile; organobromine compound; secondary carboxamide | anti-inflammatory agent; autophagy inducer; PAR2 negative allosteric modulator | |
| at 9283 | |||
| otssp167 | OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity | ||
| chir 258 | |||
| osi 027 | OSI 027: inhibits both mTORC1 and mTORC2; structure in first source | ||
| ((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one) | leucettine L41 : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 muM, respectively). | benzodioxoles; imidazolone; substituted aniline | autophagy inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.12.1 (dual-specificity kinase) inhibitor; neuroprotective agent; nootropic agent |
| ro 3306 | RO 3306: structure in first source | ||
| guanylyl imidodiphosphate | guanosine 5'-[beta,gamma-imido]triphosphate : A nucleoside triphosphate analogue that is GTP in which the oxygen atom bridging the beta- to the gamma- phosphate is replaced by a nitrogen atom A non-hydrolyzable analog of GTP, it binds tightly to G-protein in the presence of Mg(2+). Guanylyl Imidodiphosphate: A non-hydrolyzable analog of GTP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It binds tightly to G-protein in the presence of Mg2+. The nucleotide is a potent stimulator of ADENYLYL CYCLASES. | nucleoside triphosphate analogue | |
| hematein | hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. hematein: structure | ||
| hymenialdisine | |||
| isogranulatimide | isogranulatimide: G2 checkpoint inhibitor; structure in first source | ||
| 3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol | pyrazoles; ring assembly | ||
| ag-879 | AG-879: structure given in first source | ||
| N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide | sulfonamide | ||
| 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. | ||
| 7-bromoindirubin-3'-oxime | 7-bromoindirubin-3'-oxime: has mild protein kinase inhibitory activity; induces caspase-independent cell death; structure in first source | ||
| lomofungin | lomofungin: antibiotic obtained from Streptomyces species; reported effective against bacteria as well as fungi & yeasts; probably inhibits nucleic acid & protein synthesis; minor descriptor (76-85); on-line & Index Medicus search PHENAZINES (76-85) | ||
| pyridoxal 4-methoxybenzoyl hydrazone | pyridoxal 4-methoxybenzoyl hydrazone: structure given in first source | ||
| 2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one | substituted aniline | ||
| debromohymenialdisine | |||
| N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]butanamide | aromatic ketone | ||
| 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester | benzoate ester | ||
| 2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | 2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1H-indole-5-carbonitrile: structure in first source AZD1080 : A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued). | hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor |
| bay 80-6946 | copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies. copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source | ||
| pp242 | torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine | antineoplastic agent; mTOR inhibitor |
| nms-e973 | NMS-E973: structure in first source |