Target type: biologicalprocess
The process whose specific outcome is the progression of the thyroid gland over time, from its formation to the mature structure. The thyroid gland is an endoderm-derived gland that produces thyroid hormone. [GOC:dgh]
The thyroid gland, a crucial endocrine organ responsible for producing and releasing hormones vital for metabolism, growth, and development, undergoes a complex developmental process. Its formation begins during the embryonic stage, around the fourth week of gestation, with the emergence of a median thickening in the floor of the pharynx, known as the thyroid diverticulum. This diverticulum, composed of endodermal cells, descends caudally, gradually detaching from its origin and migrating to its final location in the neck. As it descends, the diverticulum forms a narrow stalk, known as the thyroglossal duct, which eventually disappears leaving no trace.
During its descent, the diverticulum proliferates and differentiates into two lobes connected by a narrow isthmus. The thyroid gland's development relies on a complex interplay of signaling pathways, including the thyroid transcription factor 1 (TTF1), which plays a crucial role in specifying thyroid cell fate and promoting the expression of thyroid-specific genes. Other important signaling molecules include the Wnt, fibroblast growth factor (FGF), and retinoic acid pathways, which regulate cell proliferation, differentiation, and migration.
The development of the thyroid gland is further characterized by the formation of thyroid follicles, the functional unit of the thyroid gland. Each follicle is composed of a single layer of follicular cells surrounding a central lumen containing colloid, a viscous substance containing thyroglobulin, the precursor protein for thyroid hormones. The thyroid hormones, thyroxine (T4) and triiodothyronine (T3), are synthesized and stored within the colloid and released into the bloodstream upon stimulation by thyroid-stimulating hormone (TSH) produced by the pituitary gland.
The thyroid gland's development is a tightly regulated process susceptible to disruptions that can lead to thyroid disorders. These disorders may manifest as hypothyroidism, characterized by underproduction of thyroid hormones, or hyperthyroidism, characterized by overproduction of thyroid hormones. Timely diagnosis and treatment of thyroid disorders are essential to ensure proper development and maintain overall health.'
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| Protein | Definition | Taxonomy |
|---|---|---|
| Tubulin beta-1 chain | A tubulin beta-1 chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H4B7] | Homo sapiens (human) |
| Homeodomain-interacting protein kinase 2 | A homeodomain-interacting protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2X6] | Homo sapiens (human) |
| Sonic hedgehog protein | A sonic hedgehog protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15465] | Homo sapiens (human) |
| Dual specificity mitogen-activated protein kinase kinase 1 | A dual specificity mitogen-activated protein kinase kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q02750] | Homo sapiens (human) |
| Dual specificity mitogen-activated protein kinase kinase 2 | A dual specificity mitogen-activated protein kinase kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36507] | Homo sapiens (human) |
| Mitogen-activated protein kinase 1 | A mitogen-activated protein kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P28482] | Homo sapiens (human) |
| Mitogen-activated protein kinase 3 | A mitogen-activated protein kinase 3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P27361] | Homo sapiens (human) |
| Endothelin-1 receptor | An endothelin-1 receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P25101] | Homo sapiens (human) |
| Serine/threonine-protein kinase B-raf | A B-Raf proto-oncogene serine/threonine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15056] | Homo sapiens (human) |
| Thyroid hormone receptor alpha | A thyroid hormone receptor alpha that is encoded in the genome of human. [PRO:HJD, UniProtKB:P10827] | Homo sapiens (human) |
| RAF proto-oncogene serine/threonine-protein kinase | A RAF proto-oncogene serine/threonine-protein kinase that is encoded in the genome of human. [PMID:20703093, PRO:KER] | Homo sapiens (human) |
| Glycoprotein hormones alpha chain | A glycoprotein hormones alpha chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01215] | Homo sapiens (human) |
| Compound | Definition | Classes | Roles |
|---|---|---|---|
| pd 173074 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
| ag 1295 | quinoxaline derivative | geroprotector | |
| tyrphostin ag957 | tyrphostin AG957: tyrosine kinase blocker; structure given in first source | aromatic amine | |
| amiodarone | amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance. | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
| azinphosmethyl | azinphos-methyl : A member of the class of benzotriazines that is 1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3. Azinphosmethyl: An organothiophosphorus cholinesterase inhibitor. It has been used as an acaricide and as an insecticide. | benzotriazines; organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| 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 |
| beta-naphthoflavone | beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308) | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| bithionol | bithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders. Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations. | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
| carbazilquinone | Carbazilquinone: An alkylating agent structurally similar to MITOMYCIN and found to be effective in the treatment of leukemia and various other neoplasms in mice. It causes leukemia and thrombocytopenia in almost all human patients. | organic molecular entity | |
| carmofur | organohalogen compound; pyrimidines | ||
| disulfiram | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor | |
| ha 1004 | N-(2-guanidinoethyl)-5-isoquinolinesulfonamide: structure given in first source | isoquinolines | |
| 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 |
| 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 |
| iodoquinol | iodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis. Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide. | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
| avapro | irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease. | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
| 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration | ||
| 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 |
| meclofenamic acid | meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis. | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
| nocodazole | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator | |
| mianserin | mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere. Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
| mitoxantrone | mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. Mitoxantrone: An anthracenedione-derived antineoplastic agent. | dihydroxyanthraquinone | analgesic; antineoplastic agent |
| 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 |
| olomoucine | olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor. olomoucine: inhibits protein P34CDC2 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| pd 98059 | 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
| pomiferin | pomiferin: structure in first source | isoflavanones | |
| ppm 18 | naphthoquinone | ||
| propranolol | propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs. | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
| 3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | indoles | ||
| aurin | aurin: structure | diarylmethane | |
| sb 220025 | SB 220025: inhibits p38 mitogen-activated protein kinase; structure in first source SB220025 : Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively. | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| sb 239063 | SB 239063: structure in first source SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. | imidazoles | |
| sb 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 | |
| sulfaquinoxaline | Sulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis. | benzenes; sulfonamide | |
| sulfasalazine | sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907) | ||
| sulfathiazole | sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position. Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine. | 1,3-thiazoles; substituted aniline; sulfonamide; sulfonamide antibiotic | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
| sulfisoxazole | sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms. | isoxazoles; sulfonamide; sulfonamide antibiotic | antibacterial drug; drug allergen |
| trifluoperazine | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug | |
| trioxsalen | antipsoriatic : A drug used to treat psoriasis. lactone : Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. trioxsalen : 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis. Trioxsalen: Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo. | psoralens | dermatologic drug; photosensitizing agent |
| troglitazone | Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity. | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
| ici 204,219 | zafirlukast: a leukotriene D4 receptor antagonist | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
| zm 336372 | N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first source | benzamides | |
| 3,3',5-triiodothyroacetic acid | tiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome. | ||
| 3,3',5-triiodothyropropionic acid | aromatic ether | ||
| 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 |
| triiodothyronine | 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3. | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
| vincristine | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator | |
| methylene blue | methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN. | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
| zoxazolamine | Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood. | benzoxazole | |
| colchicine | (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
| 17-alpha-hydroxyprogesterone | 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. | 17alpha-hydroxy steroid; 17alpha-hydroxy-C21-steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
| chlorquinaldol | chlorquinaldol : A monohydroxyquinoline that is quinolin-8-ol which is substituted by a methyl group at position 2 and by chlorine at positions 5 and 7. An antifungal and antibacterial, it was formerly used for topical treatment of skin conditions and vaginal infections. Chlorquinaldol: Local anti-infective agent used for skin, gastrointestinal, and vaginal infections with fungi, protozoa, and certain bacteria. In animals, it causes central nervous system damage and is not administered parenterally. It is also used as antiseptic, fungistat, or deodorant. | monohydroxyquinoline; organochlorine compound | antibacterial drug; antiprotozoal drug; antiseptic drug |
| 1-phenylazo-2-naphthylamine | |||
| 1-(2-pyridylazo)-2-naphthol | |||
| salicylanilide | salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. salicylanilide: RN given refers to parent cpd | benzanilide fungicide; salicylamides; salicylanilides | |
| 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 |
| 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 |
| triclocarban | triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
| 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 | |
| sterogenol | cetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. hexadecylpyridinium bromide: structure in first source | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
| 5H-dibenzo[b,f]azepine | 5H-dibenzo[b,f]azepine : A mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings. | dibenzoazepine; mancude organic heterotricyclic parent | marine xenobiotic metabolite |
| jervine | jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure | piperidines | |
| kokusaginine | kokusaginine: antimalarial alkaloid from Teclea afzelii; structure in first source | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| podophyllotoxin | Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
| dibromsalicil | dibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic | ||
| nitrophenide | nitrophenide: Structure in first source | ||
| guaiacol carbonate | methoxybenzenes | ||
| diphenylamine | diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning. | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
| vinblastine | |||
| c 137 | C 137: RN given refers to parent cpd | ||
| 3,3',4',5-tetrachlorosalicylanilide | 3,3',4',5-tetrachlorosalicylanilide : A salicylanilide derivative with chloride substituents at C-3 and C-5 of the salicylate moiety and at C-3 and C-4 of the anilide moiety. | dichlorobenzene; salicylanilides | drug allergen |
| tribromsalan | tribromosalicylanilide : A salicylanilide derivative with bromo- substituents at C-3 and C-5 of the salicylate moiety and at C-4 of the anilide moiety. tribromsalan: germicide; structure | salicylanilides | |
| antimycin a | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide | |
| desacetamidocolchicine | desacetamidocolchicine: structure given in first source | ||
| 7-hydroxychlorpromazine | 7-hydroxychlorpromazine: RN given refers to parent cpd | phenothiazines | |
| fluorenone oxime | |||
| mofebutazone | mofebutazone : A pyrazolidine that is phenylbutazone lacking one of the phenyl substituents. It is used for treatment of joint and muscular pain. mofebutazone: RN given refers to parent cpd; structure | pyrazolidines | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| 2-methoxy-1,4-naphthoquinone | 2-methoxy-1,4-naphthoquinone : A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. 2-methoxy-1,4-naphthoquinone: isolated from Swertia calycina; structure in first source | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
| 1,3,5-triglycidyl-s-triazinetrione | |||
| 1,2-benzisothiazoline-3-one | 1,2-benzisothiazoline-3-one: a preservative in water-based solutions such as paints, cutting fluids, printing inks, cleaning agents, polyvinyl chloride gloves, etc. benzo[d]isothiazol-3-one : An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. | organic heterobicyclic compound; organonitrogen heterocyclic compound | disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic |
| thiocholchicine | thiocholchicine: RN refers to (S)-isomer | ||
| hydroxyphenytoin | 4-hydroxyphenytoin : A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5. hydroxyphenytoin: main metabolite of diphenylhydantoin; reduces Na(+) inhibition at high Na:K ratios; RN given refers to cpd without isomeric designation; structure | imidazolidine-2,4-dione; phenols | metabolite |
| 2-amino-3-chloro-1,4-naphthoquinone | 2-amino-3-chloro-1,4-naphthoquinone: has antineoplastic activity; structure in first source | 1,4-naphthoquinones | |
| nsc 3852 | 5-nitroso-8-quinolinol: structure in first source | hydroxyquinoline | |
| nafenopin | 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid : A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether. nafenopin : A racemate comprising equimolar amounts of (R)- and (S)-nafenopin. It is a peroxisome proliferator that is used experimentally to promote liver tumors. It has been used as an hypolipidemic agent. Nafenopin: A peroxisome proliferator that is used experimentally to promote liver tumors. It has been used as an antihyperlipoproteinemic agent. | aromatic ether; monocarboxylic acid | |
| Bis(2-furanylmethyl) disulfide | heteroarene | ||
| oxycarboxin | oxycarboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-4,4-dioxo-1,4-oxathiine-3-carboxylic acid. A fungicide for the control of rust diseases on ornamentals, cereals and nursery trees as well as fairy rings on turf. oxycarboxin: structure | anilide; anilide fungicide; organosulfur heterocyclic compound; oxacycle; sulfone | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| 5-nitroindazole | |||
| 6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine | flavin | ||
| marmesin, (r)-isomer | nodakenetin : A marmesin with R-configuration. | marmesin | plant metabolite; rat metabolite; xenobiotic metabolite |
| 3-methyl-2-quinoxalinol | quinoxaline derivative | ||
| parbendazole | parbendazole: anthelmintic used against a variety of gastrointestinal parasites; minor descriptor (75-86); on-line & INDEX MEDICUS search BENZIMIDAZOLES; RN given refers to parent cpd | benzimidazoles; carbamate ester | |
| clioxanide | clioxanide: structure | ||
| n-(cyclohexylthio)phthalimide | N-(cyclohexylthio)phthalimide: water pollutant | ||
| 1,4-diaminoanthraquinone | |||
| (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 | ||
| N-fluorenylacetamide | fluorenes | ||
| paclitaxel | Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
| isovelleral | isovelleral: structure given in first source | aldehyde | |
| phenicaberan | |||
| 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 | |
| nsc 330770 | NSC 330770: structure given in first source | ||
| mifepristone | Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME. | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
| 2-demethylthiocolchicine | 2-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85 | ||
| 3-morpholinopropylamine | 3-morpholinopropylamine : A member of the class of morpholines that is morpholine substituted by a 3-aminopropyl group a the N atom. | morpholines; primary amino compound | |
| 2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole | C-nitro compound; furans | ||
| benzylaminopurine | benzylaminopurine: a plant growth regulator N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 6-aminopurines | cytokinin; plant metabolite |
| 5-Aminoacenaphthene | naphthalenes | ||
| nelfinavir | nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
| arctigenin | arctigenin: precursor to catechols; in many plants | lignan | |
| diacetylfluorescein | |||
| 2,2'-dipyridyl disulfide | 2,2'-dipyridyl disulfide: disulfide is an important moiety in this cpd aldrithiol : A member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols. | organic disulfide; pyridines | oxidising agent |
| n,n'-bis(salicyl)hydrazine | N,N'-bis(salicyl)hydrazine: structure in first source | ||
| tetraiodothyroacetic acid | 3,3',5,5'-tetraiodothyroacetic acid : A monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'. tetraiodothyroacetic acid: RN given refers to parent cpd; structure | 2-halophenol; aromatic ether; iodophenol; monocarboxylic acid | apoptosis inducer; human metabolite; thyroid hormone |
| n-acetylsulfamethoxypyridazine | |||
| 4,7-phenanthroline | phenanthroline | ||
| dibenzthione | dibenzthione: structure | aromatic amine | |
| harmol | harmol: harmol is oxidized form of alkaloid harmolol; RN given refers to parent cpd; structure | harmala alkaloid | |
| oxiperomide | oxiperomide: dopamine-blocking agent | ||
| 1,2-bis(phenylsulfonyl)ethane | |||
| norcyclizine | norcyclizine: RN given refers to parent cpd; structure in first source | ||
| 4-Formyl-antipyrine | pyrazoles; ring assembly | ||
| morphazinamide | morphazinamide: RN given refers to parent cpd; RN in Chemline for mono-HCL: 1473-73-0; structure in Merck Index | morpholines; pyrazines; secondary carboxamide | |
| 2,2',2''-terpyridine | 2,2',2''-terpyridine: RN given refers to parent cpd 2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings. | terpyridines | chelator |
| propipocaine monohydrochloride | |||
| aceclofenac | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
| 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 |
| 9-methoxyellipticine | 9-methoxyellipticine: RN given refers to parent cpd | ||
| 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 |
| methyl fluorone black | methyl fluorone black: structure | ||
| 3-aminophenoxazone | 3-aminophenoxazone: also inhibits sulfatase; structure | phenoxazine | |
| 2-phenyl-4,5-dichloro-3-pyridazinone | |||
| centazolone | centazolone: tranquillosedative drug with action similar to that of chlordiazepoxide; structure in UD 30;55a | ||
| methylene violet | methylene violet: structure given in first source | ||
| 8-hydroxy-2-quinolinecarboxylic acid | quinolines | ||
| 1-ethyl-2-benzo[cd]indolone | isoindoles | ||
| 2-Amino-6-(benzylthio)purine | thiopurine | ||
| 7-bromo-5-phenyl-1,2-dihydro-2h-1,4-benzodiazepin-2-one | 7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one: RN given refers to unlabeled parent cpd | ||
| 3,5-di-tert-butyl-1,2-benzoquinone | |||
| 1-methyl-2-phenylindole | |||
| 2-methyl-4-nitroquinoline 1-oxide | 2-methyl-4-nitroquinoline 1-oxide: structure | ||
| 8-(4-tolylsulfonylamino)quinoline | 8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source | sulfonamide | |
| n,n'-2-phenylenedimaleimide | N,N'-2-phenylenedimaleimide: RN given refers to 2-phenylene-cpd | ||
| 3-demethylthiocolchicine | 3-demethylthiocolchicine: RN & structure given in first source; RN not in Chemline 10/85 | ||
| 2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione | |||
| 5-bromonicotinic acid | 5-bromonicotinic acid: structure given in first source | ||
| 5-benzyloxytryptamine | |||
| streptovitacin a | streptovitacin A: structure | ||
| pyridaben | organochlorine acaricide; organochlorine insecticide; pyridazinone | mitochondrial NADH:ubiquinone reductase inhibitor | |
| coumarin 7 | coumarin 7: structure in first source | ||
| 1-piperonylpiperazine | 1-piperonylpiperazine: coadministration of above cpd attenuates neurotoxicity of 3,4-methylenedioxymethamphetamine; RN given refers to parent cpd | ||
| osajin | osajin: from Maclura pomifera | isoflavanones | |
| 9,10-phenanthrenequinone monoxime | 9,10-phenanthrenequinone monoxime: selective sensitive reagent for iron in environmental samples | ||
| quercetin 5,7,3',4'-tetramethyl ether | quercetin 5,7,3',4'-tetramethyl ether : A tetramethoxyflavone that is the 5,7,3',4'-tetramethy-derivative of quercetin. | flavonols; tetramethoxyflavone | plant metabolite |
| 2-nitrobenzimidazole | 2-nitrobenzimidazole: RN given refers to parent cpd | ||
| 5-iodotubercidin | 7-iodotubercidin: inhibits Toxoplasma gondii adenosine kinase | organoiodine compound | |
| 1,3-diphenyl-2-propyn-1-one | 1,3-diphenyl-2-propyn-1-one: structure in first source | ||
| 3,3'-Dihydroxyhexestrol | stilbenoid | ||
| wr 158122 | WR 158122: structure | ||
| n-acetylphenylalanyl-phenylalanine | |||
| difenpiramide | biphenyls; monocarboxylic acid amide; pyridines | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
| diphyllin | diphyllin: extract of Cleistanthus collinus (Roxb), a highly poisonous plant; do not confuse with diphyllin or diphylline which is the main heading AMINOPHYLLINE; do not confuse with the theophylline derivative DYPHYLLINE | lignan | |
| 5,4'-dihydroxy-3,6,7,8,3'-pentamethoxyflavone | 5,4'-dihydroxy-3,6,7,8,3'-pentamethoxyflavone: a flavonol isolated from Polanisia dodecandra; structure given in first source | ||
| karanjin | karanjin: structure given in first source | extended flavonoid | |
| bosentan anhydrous | Bosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS. | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
| u 74006f | tirilazad: a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedox | corticosteroid hormone | |
| 1h-indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2- (carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1s,2r,3s)- | 1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2- (carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)-: an ET(A) and ET(B) endothelin receptor antagonist; structure in first source | ||
| 3,5-dimethyl-3'-isopropyl-l-thyronine | 3,5-dimethyl-3'-isopropyl-L-thyronine: RN given refers to (L)-isomer | ||
| tanshinone | tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | abietane diterpenoid | anticoronaviral agent |
| pirlindole hydrochloride | |||
| 3-(1-piperidinyl)-1-(4-propan-2-yloxyphenyl)-1-propanone | aromatic ketone | ||
| ro 46-2005 | Ro 46-2005: an orally active non-peptide antagonist of endothelin receptors; structure given in first source | ||
| pd 142893 | PD 142893: functional antagonist of endothelin-stimulated vasoconstriction | ||
| 5-(dimethylamino)-n-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide | 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide: structure in first source; endothelin receptor antagonist | naphthalenes; sulfonic acid derivative | |
| 1,3-dimethylbenzimidazoline-2-thione | 1,3-dimethylbenzimidazoline-2-thione: structure given in first source | ||
| gefitinib | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | |
| tak 044 | TAK 044: endothelin receptor antagonist | ||
| 3'-deamino-3'-hydroxydaunorubicin | 3'-deamino-3'-hydroxydaunorubicin: structure given in first source | ||
| ly 188544 | LY 188544: RN given refers to cpd without isomeric designation; LY 188545 is the (S)-isomer; LY 188546 is the (R)-isomer; structure given in first source | benzamides | |
| lestaurtinib | indolocarbazole | ||
| endothelin (16-21) | endothelin (16-21): C-terminal hexapeptide of endothelin; amino acid seq. given in first source | peptide | |
| omeprazole magnesium | esomeprazole magnesium : A magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome. | benzimidazoles; sulfoxide | |
| n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide | |||
| umifenovir | umifenovir: an antiviral agent | indolyl carboxylic acid | |
| 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone | 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone: has antineoplastic activity; structure in first source | ether; flavonoids | |
| 1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone | benzodioxoles | ||
| docetaxel | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent | |
| perifosine | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| levofloxacin | levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase. Levofloxacin: The L-isomer of Ofloxacin. | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
| 3,3',4',5,6,7,8-heptamethoxyflavone | 3,3',4',5,6,7,8-heptamethoxyflavone: has anti-inflammatory activity; isolated from citrus fruit; exhibit antiadhesive action on platelets | ether; flavonoids | |
| tezosentan | tezosentan: structure in first source | ||
| 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 | |
| 4,5-diphenyl-4-oxazolin-2-one | 4,5-diphenyl-4-oxazolin-2-one: amino group protecting agent in peptide synthesis; structure | ||
| 8-(methylsulfonylamino)quinoline | 8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source | ||
| 1,4-di(2'-thienyl)-1,4-butadione | 1,4-di(2'-thienyl)-1,4-butadione: structure given 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 | |
| bms 207940 | N-((2'-(((4,5-dimethyl-3-isoxazolyl)amino)sulfonyl)-4-(2-oxazolyl)(1,1'-biphenyl)-2-yl)methyl)-N,3,3-trimethylbutanamide: an ET(A) receptor antagonist; structure in first source | ||
| ustiloxin d | ustiloxin D: an antimitotic cyclic peptide; from false smut balls on rice panicles caused by Ustilaginoidea virens; structure given in first source | oligopeptide | |
| atrasentan | Atrasentan: A pyrrolidine and benzodioxole derivative that acts a RECEPTOR, ENDOTHELIN A antagonist. It has therapeutic potential as an antineoplastic agent and for the treatment of DIABETIC NEPHROPATHIES. | pyrrolidines | |
| sch 45752 | organic heterotricyclic compound; organooxygen compound | ||
| 2-chloroacetoacetanilide | 2-chloroacetoacetanilide: structure in first source | ||
| 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 |
| 2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one | 2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one: structure in first source | ||
| 4'-demethyldesoxypodophyllotoxin | 4'-demethyldeoxypodophyllotoxin : A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group. 4'-demethyldesoxypodophyllotoxin: from the root of Bursera tonkinensis Guillaum; structure in first source | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols | antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite |
| 2-phenyl-4-oxohydroquinoline | 2-phenyl-4-oxohydroquinoline: structure given in first source | ||
| 8-(4-benzenesulfonylamino)quinoline | 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | ||
| 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one | indoles | ||
| 2,4-dinitropyrimidinyl-2-thiophenol | |||
| ustiloxin a | ustiloxin A: a modified peptide from the fungus Ustilaginoidea virens or false smut ball; structurally similar to phomopsin A; structure given in first source | ||
| 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 |
| 2-phenyl-1,2-benzisothiazol-3-(2h)-one | 2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen | ||
| 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione | benzenes | ||
| 2-(1,1,2,2-tetrafluoroethyl)benzimidazole | |||
| 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 | |
| enzastaurin | indoles; maleimides | ||
| erlotinib | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | |
| lu 135252 | |||
| enrasentan | enrasentan : A member of the class of indanes that is 2,3-dihydro-1H-indene which is substituted by a 1,3-benzodioxol-5-yl group, carboxy group, 2-(2-hydroxyethoxy)-4-methoxyphenyl group and a propoxy group at positions 1S, 2R, 3S and 5, respectively. It is an orally active mixed endothelin A/B receptor antagonist with a 100-fold greater affinity for the endothelin A receptor. The drug was being developed by GSK for the treatment of congestive heart failure and pulmonary hypertension (clinical trials discontinued). enrasentan: decreases ischemic brain injury; an endothelin A and B receptor antagonist; structure in first source | aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol | antihypertensive agent; endothelin receptor antagonist |
| 4-methoxy-1-vinylcarboline | |||
| 2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid | diarylmethane | ||
| 2-[4-(4-methoxyphenyl)-1-piperazinyl]pyrimidine | piperazines | ||
| lapatinib | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
| tbc-11251 | sitaxsentan: endothelin A receptor antagonist; structure in first source | benzodioxoles | |
| 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 | |
| Phthalyltyrosine | tyrosine derivative | ||
| colchiceine | cyclic ketone | ||
| 3-nitrotyrosine | 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring. 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
| benzatropine methanesulfonate | |||
| vinblastine sulfate | alkaloid sulfate salt | ||
| vincaleukoblastine | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite | |
| 1',2'-dihydrorotenone | 1',2'-dihydrorotenone: RN given refers to (2R-(2alpha,6aalpha,12aalpha))-isomer; structure given in first source | ||
| 2-methyl-3-(phenylthio)pyrazine | aryl sulfide | ||
| gant58 | GANT58: inhibits hedgehog signalling; structure in first source | pyridines | |
| coronopilin | coronopilin: isolated from Ambrosia arborescens | sesquiterpene lactone | |
| gardenin a | gardenin A: promotes neurite outgrowth; structure in first source | ||
| 1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one | 1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one: has antineoplastic activity; structure in first source | ||
| 2-chloro-3-(4-methylanilino)naphthalene-1,4-dione | 1,4-naphthoquinones | ||
| 4-amino-1,2-dithiolane-4-carboxylic acid | 4-amino-1,2-dithiolane-4-carboxylic acid: structure in first source | ||
| papaverinol | papaverinol: degradation product of papaverine | ||
| noscapine | (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent. | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
| dimethyl 2-(2-nitrobenzylidene)malonate | dimethyl 2-(2-nitrobenzylidene)malonate: inhibits TLR4 signaling; structure in first source | ||
| nsc 154020 | N-glycosyl compound | ||
| 4-chloro-1H-indazol-3-amine | indazoles | ||
| nsc228155 | |||
| 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one | 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one: structure in first source | cyclic ketone; quinuclidines | |
| Cadabicilone | sesquiterpene lactone | ||
| mitonafide | |||
| pinafide | pinafide: structure | ||
| rocaglamide | rocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
| 3',4',5'-trimethoxyflavone | 3',4',5'-trimethoxyflavone: structure in first source | ether; flavonoids | |
| anthricin | anthricin: antitumor constituent from Anthriscus sylvestris (L.) Hoffm; structure in first source deoxypodophyllotoxin : A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes | antineoplastic agent; apoptosis inducer; plant metabolite |
| 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione | beta-diketone | ||
| 6-dimethylaminopurine arabinoside | |||
| nsc606985 | |||
| 5-demethylnobiletin | 5-demethylnobiletin: antineoplastic from Citrus plants; structure in first source | ether; flavonoids | |
| 5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone | 5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone: an antineoplastic flavonol isolated from Polanisia dodecandra; structure given in first source | ||
| 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone | 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source | ||
| nsc668394 | |||
| nsc 680410 | NSC 680410: a bcr/abl kinase inhibitor; structure in first source | ||
| nsc681152 | |||
| 5,7-dimethoxy-4-methyl-1-benzopyran-2-one | coumarins | ||
| nsc689857 | |||
| nsc697923 | |||
| 4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile | pyrimidines | ||
| nsc-134754 | |||
| N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide | diarylmethane | ||
| Destruxin B | cyclodepsipeptide | ||
| macbecin ii | macbecin II: from Norcardia sp. No. C-14919; belongs to ansamycin group of antibiotics; structure in second source | ||
| cyclopamine | piperidines | glioma-associated oncogene inhibitor | |
| bq 123 | cyclo(Trp-Asp-Pro-Val-Leu): derived from the modification of a natural lead of BE-18257B, an endothelin A receptor antagonist; has neuroprotective activity; amino acid sequence given in first source | cyclic peptide | |
| 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 |
| pd 173955 | PD 173955: inhibits src family-selective tyrosine kinase; structure in first source | aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine | tyrosine kinase inhibitor |
| epothilone b | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent | |
| 7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine | |||
| 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 | |
| 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 | ||
| 6,8-diprenylgenistein | 5,7,4'-trihydroxy-6,8-diprenylisoflavone : A member of the class of 7-hydroxyisoflavones that is genistein substituted by prenyl groups at positions 6 and 8. It has been isolated from Derris scandens and Glycyrrhiza uralensis. 6,8-diprenylgenistein: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source | 7-hydroxyisoflavones | antibacterial agent; plant metabolite |
| 9,14-Dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-ene-4,11-dione | germacranolide | ||
| 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester | heteroarene | ||
| 2-chloro-N-(5-methyl-3-isoxazolyl)acetamide | aromatic amide | ||
| 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole | benzimidazoles; sulfoxide | ||
| LSM-22807 | aromatic ether | ||
| 2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline | 2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd | ||
| 2-chlorothioxanthen-9-one | 2-chlorothioxanthen-9-one: chlorprothixene degradation product | ||
| chalcone | trans-chalcone : The trans-isomer of chalcone. | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| dibenzylidene acetone | dibenzylidene acetone: structure in first source | ||
| cgp 60474 | substituted aniline | ||
| s 1033 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | |
| 2-(4-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide | benzoxazole | ||
| 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester | benzodioxoles | ||
| 7,8-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-phenyl-3H-1,5-benzodiazepin-2-one | benzodiazepine | ||
| 3-methyl-4-(7-methyl-2-indolizinyl)-1,2,5-oxadiazole | indolizines | ||
| 3-[[1,3-benzodioxol-5-ylmethyl-[(1-cyclopentyl-5-tetrazolyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one | quinolines | ||
| 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-pyridinyl)-3-piperidinecarboxamide | sulfonamide | ||
| 2-(4-bromophenyl)-5-(2-methylphenyl)-1,3,4-oxadiazole | organobromine compound | ||
| 5-(4-propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole | pyridines | ||
| N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-furancarboxamide | peptide | ||
| N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide | aromatic ether | ||
| N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide | peptide | ||
| 4-[4-[(5,6-dimethyl-1-benzimidazolyl)sulfonyl]phenyl]sulfonylmorpholine | sulfonamide | ||
| 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide | aromatic amide | ||
| N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamide | benzimidazoles | ||
| N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide | amidobenzoic acid | ||
| 3-(2,5-dimethyl-1-pyrrolyl)-4-methylaniline | pyrroles | ||
| 4-[[[[8-[(1-tert-butyl-5-tetrazolyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester | benzoate ester | ||
| N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide | anilide | ||
| 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one | quinolines | ||
| 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanone | piperazines | ||
| N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidinecarboxamide | piperidines | ||
| 2-methoxy-N-methyl-N-[5-(5-methyl-2-pyrazinyl)-1,3,4-thiadiazol-2-yl]acetamide | pyrazines | ||
| 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-methyl-1H-quinolin-2-one | quinolines | ||
| 2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester | pyrazoles; ring assembly | ||
| [4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
| N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide | aromatic amide; quinolines | ||
| (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone | quinolines | ||
| 5-[(2-fluoroanilino)methyl]-8-quinolinol | hydroxyquinoline | ||
| 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol | N-arylpiperazine | ||
| N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamide | sulfonamide | ||
| 1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine | pyrroloquinoline | ||
| 2'-amino-5',6'-dimethoxy-1'-spiro[cyclopentane-1,3'-indene]carbonitrile | indene | ||
| 3-(4-butyl-3,5-dimethyl-1-pyrazolyl)-5-methyl-[1,2,4]triazino[5,6-b]indole | triazinoindole | ||
| 6-amino-4-(5-bromo-2-thiophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | pyranopyrazole; thiophenes | ||
| 5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
| 2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4h-chromene | 2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4H-chromene: induces apoptosis; structure in first source | ||
| 5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide | benzothiazine | ||
| 3-(5-cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acid | thiazolidines; thiocarbonyl compound | ||
| 1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea | thiadiazoles; ureas | ||
| 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea | thiadiazoles; ureas | ||
| 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester | alpha-amino acid ester | ||
| 2-[[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,3-thiazin-6-yl]thio]acetic acid ethyl ester | dimethoxybenzene | ||
| 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 3-benzamido-5-bromo-2-benzofurancarboxylic acid methyl ester | benzofurans | ||
| 5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine | dimethoxybenzene | ||
| 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester | pyrimidinecarboxylic acid | ||
| N-[3-(2-furanylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide | quinoxaline derivative | ||
| 3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dione | aromatic ketone | ||
| N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester | dichlorobenzene | ||
| 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile | pyrazoles; ring assembly | ||
| 6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | aromatic ether; triazolothiadiazole | ||
| 7-methyl-3-(3-methylbutylamino)-1-(1-pyrrolidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile | naphthyridine derivative | ||
| N-(4,6-dimethyl-2-pyrimidinyl)-1,3-bis(phenylmethyl)-2,4-dihydro-1,3,5-triazin-6-amine | aralkylamine | ||
| 7-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one | N-arylpiperazine | ||
| N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide | benzimidazoles | ||
| LSM-20899 | pyranopyridine | ||
| 3,4,7-trimethyl-5-(3-oxobutan-2-yloxy)-1-benzopyran-2-one | coumarins | ||
| 4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenol | imidazoles | ||
| N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine | imidazopyridine | ||
| 2,6-dimethyl-N-(4-methylphenyl)-4-quinolinamine | aminoquinoline | ||
| 2-[(4-chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine | imidazopyrimidine | ||
| 1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazine | piperazines | ||
| 4-chloro-1-methyl-3-nitro-2-quinolinone | nitro compound; quinolines | ||
| N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diamine | quinazolines | ||
| 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester | benzodioxine | ||
| 2-mercaptobenzimidazole | 2-mercaptobenzimidazole: purine synthesis antimetabolite; RN given refers to parent cpd | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamide | quinazolines | ||
| 2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol | methoxybenzenes; phenols | ||
| 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester | pyrazoles; ring assembly | ||
| 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | benzenes; nitrile | ||
| bemethyl | |||
| 5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester | aromatic carboxylic acid; pyridines | ||
| 1-cyclohexyl-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea | aromatic amide; thiophenes | ||
| 4,5-dimethylaminobenzylidene-2-thiobarbituric acid | |||
| 1-(4-chlorophenyl)-3-(4-sulfamoylphenyl)urea | sulfonamide | ||
| N-[4-(diethylamino)phenyl]-N'-phenylurea | dialkylarylamine; tertiary amino compound | ||
| N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester | aromatic ether | ||
| 1-benzoyl-4-phenyl-3-thiosemicarbazide | 1-benzoyl-4-phenyl-3-thiosemicarbazide: structure in first source | ||
| 2,4-Dimethyl-1,3-thiazole-5-carboxylic acid | aromatic carboxylic acid; thiazoles | ||
| 2-(4-hydroxyanilino)-1,4-naphthoquinone | 2-(4-hydroxyanilino)-1,4-naphthoquinone: structure in first source | ||
| 1-(3,5-dichlorophenyl)-3-phenylurea | ureas | ||
| 3-(2,4-dioxo-6-methyl-5-pyrimidinyl)acrylic acid | 3-(2,4-dioxo-6-methyl-5-pyrimidinyl)acrylic acid: RN refers to (E)-isomer; structure in first source | ||
| 5,6-dimethyl-2-[2-(1-pyrrolidinyl)ethylthio]-1H-benzimidazole | benzimidazoles | ||
| nsc185058 | NSC185058: an ATG4B antagonist | ||
| 2-fluoro-N-phenacylbenzamide | aromatic ketone | ||
| 1-(3-pyridinylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea | benzodioxoles | ||
| 3-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione | methylindole | ||
| 2-(1,3-benzothiazol-2-ylmethoxy)phenol | benzothiazoles | ||
| 3-(8-methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one | coumarins | ||
| 2-[[2-(5,6-dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione | maleimides | ||
| 1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | aromatic compound | ||
| 2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine | 1,3,5-triazines; organic sulfide | ||
| 1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thione | isoquinolines | ||
| 4-(2-naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl ester | naphthalenes | ||
| 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]-1-cyclohexanamine | primary amine | ||
| N-(1-acetyl-2-chloro-3-indolyl)-2-chloroacetamide | indoles | ||
| N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-5-nitro-2-furancarboxamide | aromatic amide; furans | ||
| 3-amino-4-(4-chlorophenyl)-6-cyclopropyl-2-thieno[2,3-b]pyridinecarbonitrile | phenylpyridine | ||
| N-[4-(1-azepanyl)phenyl]-2-chloroacetamide | anilide | ||
| [4-(2-methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione | piperazines | ||
| 4-chloro-1-ethyl-3-nitro-2-quinolinone | nitro compound; quinolines | ||
| 3-(3-nitrophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde | arenecarbaldehyde | ||
| 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide | pyrazoles; ring assembly | ||
| 9-oxo-3-fluorenecarboxylic acid (phenylmethyl) ester | fluorenes | ||
| 1-(4-bromophenyl)-3-(2-phenylethyl)thiourea | thioureas | ||
| N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide | benzothiazoles | ||
| 5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide | isoquinolines | ||
| 3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 8-methyl-1,5-dihydropyrimido[5,4-b]indole-4-thione | pyrimido-indole | ||
| 7,8-dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline | pyrazoles; ring assembly | ||
| N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a 4-methylphenyl group and a methyl(1-methylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively. | piperidines; quinazolines; tertiary amino compound; toluenes | |
| N-[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-phenylbenzamide | biphenyls | ||
| N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide | C-nitro compound; furans | ||
| 1-(3-chlorophenyl)-3-(phenylmethyl)thiourea | thioureas | ||
| N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide | benzothiazoles | ||
| 2-[[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]propanedinitrile | sulfonamide | ||
| N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-(3-methylphenoxy)acetamide | quinolines | ||
| N-[(2,3-dimethoxyphenyl)methyl]-4-(4-methyl-1-piperidinyl)aniline | aromatic amine | ||
| 4-phenyl-N-(2-pyridinyl)butanamide | aromatic amide | ||
| 3-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid | benzamides | ||
| N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide | C-nitro compound; furans | ||
| 2-methoxy-3-methyl-N-[4-(4-morpholinylmethyl)phenyl]benzamide | benzamides | ||
| 2-chloro-N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamide | aromatic ketone | ||
| 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole | tetrazoles | ||
| 5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide | aromatic amide; heteroarene | ||
| N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide | aromatic amide; heteroarene | ||
| N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline | aromatic amine | ||
| N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide | thiazoles | ||
| 2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide | anilide | ||
| 1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| 2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester | pyrroles | ||
| 2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline | quinazolines | ||
| N2-(4-fluorophenyl)-6-(3-methyl-2-benzofuranyl)-1,3,5-triazine-2,4-diamine | benzofurans | ||
| 1-(4-methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine | pyrazoles; ring assembly | ||
| 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one | C-nitro compound | ||
| 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one | triazoles | ||
| 1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole | aromatic ether | ||
| 3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester | aromatic ketone | ||
| N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide | benzodioxoles | ||
| 1-(4-acetylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea | aromatic ketone | ||
| 6-hydroxy-2-(4-nitrophenyl)-3,1-benzoxazin-4-one | benzoxazine | ||
| 3-chloro-4-[(1-ethyl-2-benzimidazolyl)thio]aniline | aryl sulfide | ||
| (2,3-dimethoxyphenyl)-(1-pyrrolidinyl)methanethione | dimethoxybenzene | ||
| 1-(1-pyrrolidinyl)-2-(8-quinolinylthio)ethanone | quinolines | ||
| 1-[tert-butyl-[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(4-chlorophenyl)urea | ureas | ||
| 5-(4-bromophenyl)-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide | furoic acid | ||
| N-[3-chloro-2-(4-morpholinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | aromatic amide | ||
| 6-chloro-4-phenyl-3-(1-phenyl-5-tetrazolyl)quinoline | quinolines | ||
| N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | thioureas | ||
| 1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea | morpholines | ||
| N-(1-tert-butyl-5-benzimidazolyl)-3,4,5-trimethoxybenzamide | benzimidazoles | ||
| 2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester | benzothiazoles | ||
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide | aromatic amide; thiophenes | ||
| N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-1,3-benzodioxole-5-carboxamide | aromatic amide | ||
| 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine | methoxybenzenes; substituted aniline | ||
| N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide | sulfonamide | ||
| N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamide | imidazoles | ||
| N2,N7-bis(2,5-dimethylphenyl)-9H-fluorene-2,7-disulfonamide | fluorenes | ||
| LSM-16285 | bipyridines | ||
| 5-nitro-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione | dimethoxybenzene | ||
| [4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone | diarylmethane | ||
| N-(4-Methoxybenzoyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanehydrazonic acid | triazoles | ||
| 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid | amidobenzoic acid | ||
| 4,5-dimethoxy-2-[[1-oxo-2-[(3,5,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid | amidobenzoic acid | ||
| 3-pyridinecarboxylic acid [2-(2-furanyl)-4-oxo-1-benzopyran-3-yl] ester | chromones | ||
| 2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine | morpholines | ||
| 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester | carboxylic ester | ||
| 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-4-thieno[2,3-d][1,3]oxazinone | dimethoxybenzene | ||
| 9-(dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 5-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazole | imidazoles | ||
| N-[(4-ethylanilino)-sulfanylidenemethyl]-3-methylbutanamide | thioureas | ||
| N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide | aromatic amide | ||
| 3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone | 3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone : A member of the class of pyridones that is 2-pyridone carrying cyano, phenyl and 3-bromo-6-hydroxyphenyl substituents at positions 3, 4 and 6 respectively | bromophenol; nitrile; pyridone | |
| 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
| 5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide | aromatic amide; thiophenes | ||
| 3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione | 3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione: inhibits ERK1 and ERK2; structure in first source | ||
| N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-5-nitro-2-furancarboxamide | isoflavonoid | ||
| 8-methoxy-6-nitro-3-[oxo-(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]-1-benzopyran-2-one | coumarins | ||
| 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide | C-nitro compound | ||
| N-(3,5-dichlorophenyl)-2-(methanesulfonamido)benzamide | benzamides | ||
| N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
| [4-[(2-chlorophenyl)methyl]-1-piperazinyl]-(6,8-dimethyl-2-pyridin-4-yl-4-quinolinyl)methanone | quinolines | ||
| N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethyl-3-thiophenesulfonamide | sulfonamide | ||
| N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine | quinazolines | ||
| 4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide | aromatic ether | ||
| N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine | pyrazoles; ring assembly | ||
| 4-methoxy-N-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide | quinazolines | ||
| 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide | acetamides | ||
| N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanamide | quinolines | ||
| 3-[[2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid | amidobenzoic acid | ||
| 9-(3-bromo-4-hydroxyphenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione | quinolines | ||
| 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(diphenylmethyl)acetamide | diarylmethane | ||
| 8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-imine | quinolines | ||
| 7-(4-ethyl-1-piperazinyl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine | pyrimidines | ||
| 2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide | quinazolines | ||
| 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone | quinazolines | ||
| 3-amino-8-methyl-N-[4-(4-morpholinyl)phenyl]-2-thieno[2,3-b]quinolinecarboxamide | aromatic amide | ||
| N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide | quinazolines | ||
| 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamide | aromatic amide; furans | ||
| 4-tert-butyl-N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]benzamide | benzamides | ||
| 4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimine | organochlorine compound | ||
| 2,5-dichloro-N-(1,5,6-trimethyl-4-benzimidazolyl)benzenesulfonamide | sulfonamide | ||
| 4-[(3-methylphenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid | aryl sulfide | ||
| Src Inhibitor-1 | Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. | aromatic ether; polyether; quinazolines; secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| 4-(2-quinoxalinylamino)benzoic acid ethyl ester | quinoxaline derivative | ||
| 1-[[[1-(6-methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthiourea | imidazoles | ||
| 1,1-bis(4-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]ethanol | diarylmethane | ||
| 5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide | quinolines | ||
| 3-[(4-ethylsulfonyl-2-nitrophenyl)thio]-4-methyl-1,2,4-triazole | aryl sulfide | ||
| 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 4-chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-3-pyrazolecarboxamide | aromatic amide | ||
| 5-[(4-methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester | aralkylamine | ||
| 2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone | aromatic ketone | ||
| N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester | benzodioxoles | ||
| 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide | anilide | ||
| 11-[2-(diethylamino)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile | benzimidazoles | ||
| N-(4-methoxyphenyl)-2-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide | sulfonamide | ||
| cyqualon | cyclovalone: is a synthetic curcumin derivative; structure in first source | ||
| 1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea | benzenes | ||
| 2-chloro-N-heptyl-N-(3-methylphenyl)acetamide | anilide | ||
| 2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione | 1,4-naphthoquinones | ||
| 3-chloro-N-[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]-4-nitrobenzamide | carbonyl compound; organohalogen compound | ||
| 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid | coumarins | ||
| N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester | organofluorine compound | ||
| 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine | methoxybenzenes; substituted aniline | ||
| 5-bromo-3-[[3-(3,3-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | benzenes | ||
| xl147 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline | aromatic ether | ||
| 2-[6-bromo-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid | quinolines | ||
| 2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile | dialkylarylamine; tertiary amino compound | ||
| LSM-20401 | aromatic amide | ||
| 5-tert-butyl-2-methyl-3-phenyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine | pyrazoles; ring assembly | ||
| 6-(2-chloro-1-oxoethyl)-3H-1,3-benzoxazol-2-one | benzoxazole | ||
| N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]-1-propanamine | aryl sulfide | ||
| N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine | pyrimido-indole | ||
| 1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester | indolecarboxamide | ||
| N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-2-quinolinyl]-2-methylpropanamide | quinolines | ||
| 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester | dihydropyridine | ||
| 3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide | benzothiazoles | ||
| benzotript | benzotript: anti-gastrinic; active group is amide; structure | ||
| 2-(2-bromophenyl)-5-[(7-nitro-4-quinazolinyl)oxymethyl]-1,3,4-oxadiazole | quinazolines | ||
| 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanone | pyrroles | ||
| N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide | aromatic ether | ||
| 2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide | sulfonamide | ||
| 2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone | aromatic ketone | ||
| 2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide | pyrazoles; ring assembly | ||
| N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide | sulfonamide | ||
| 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolamine | pyrazoles; ring assembly | ||
| 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3-(4-morpholinyl)propyl]thiourea | benzimidazoles | ||
| 2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone | benzimidazoles | ||
| 1-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone | benzoylpyrazole | ||
| 2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide | pyrazoles; ring assembly | ||
| N-(1H-benzimidazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide | sulfonamide | ||
| N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide | secondary carboxamide | ||
| N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(8-quinolinylsulfonyl)acetamide | quinolines | ||
| 4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide | quinazolines | ||
| N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide | benzothiazoles | ||
| (4-tert-butylphenyl)-[2-(4-fluorophenyl)-8-methyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanone | azaspiro compound | ||
| 3-(1H-indol-3-yl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide | tryptamines | ||
| 4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester | aromatic amide; furans; isopropyl ester | ||
| mcb-613 | cyclic ketone; enone; pyridines | antineoplastic agent; steroid receptor coactivator stimulator | |
| 6-bromo-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-propyl-4-quinazolinone | quinazolines | ||
| 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide | benzamides | ||
| N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide | benzimidazoles | ||
| 2,5-dimethoxybenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester | phthalimides | ||
| 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester | benzoate ester; phenols | ||
| 1-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-[(4-chlorophenyl)methyl]thiourea | furoic acid | ||
| 1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea | methoxybenzenes; substituted aniline | ||
| 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole | tetrazoles | ||
| N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine | aromatic ether | ||
| 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamide | quinolines | ||
| N-(2-naphthalenyl)-2-[[6-[[[2-(2-naphthalenylamino)-2-oxoethyl]thio]methyl]-2-pyridinyl]methylthio]acetamide | naphthalenes | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamide | dibenzofurans | ||
| N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide | sulfonamide | ||
| 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)methanone | pyrimidines | ||
| 2-[benzenesulfonyl-(phenylmethyl)amino]-N-ethylacetamide | sulfonamide | ||
| 2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid | benzamides | ||
| N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-propan-2-ylphenyl) ester | alkylbenzene | ||
| 3,4-dimethoxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide | benzamides | ||
| 1-[(7-chloro-4-quinolinyl)amino]-3-(2,4-dichlorophenyl)thiourea | organochlorine compound; quinolines | ||
| 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-(4-methyl-2-pyridinyl)urea | olefinic compound | ||
| 2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolamine | benzothiazoles | ||
| N-(1H-benzimidazol-2-yl)-4-(dimethylsulfamoyl)benzamide | sulfonamide | ||
| N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamide | morpholines | ||
| 3-[2-(4-fluorophenyl)-4-quinolinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | quinolines | ||
| N-[[2-(diethylamino)ethylamino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide | pyrazoles; ring assembly | ||
| 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester | acridines | ||
| 3-methyl-5-[[1-oxo-2-(2-pyridinylmethylamino)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester | amino acid amide | ||
| N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-2-furancarboxamide | furoic acid | ||
| 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester | aromatic ether | ||
| N,N-diethyl-2-[(4-fluorophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide | benzoxazole | ||
| 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone | aromatic ketone | ||
| 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide | N-acylurea | ||
| 4-methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid | methoxybenzoic acid | ||
| 2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide | aromatic amine; tertiary amino compound | ||
| 2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | sulfonamide | ||
| 2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester | benzoate ester; phenols | ||
| 2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamide | organochlorine compound | ||
| 2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester | alpha-amino acid ester | ||
| 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide | aromatic amide | ||
| 5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester | carboxylic ester | ||
| 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide | organonitrogen compound; organooxygen compound | ||
| 4-[(1-methyl-5-tetrazolyl)thio]-5-phenylthieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
| 2-chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone | aromatic ketone | ||
| 2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]acetamide | aryl sulfide | ||
| N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide | benzodioxoles | ||
| 2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone | aromatic amine | ||
| 2-(2,3-dichlorophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide | indanes | ||
| 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide | benzamides | ||
| 3,4-dimethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide | dimethoxybenzene | ||
| 2-chloro-N-[(5-chloro-2-thiophenyl)methyl]-N-methylacetamide | thiophenes | ||
| 2-(2,4-dichlorophenoxy)-N-[2-(methylthio)phenyl]acetamide | anilide | ||
| N'-(4-quinazolinyl)acetohydrazide | quinazolines | ||
| N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine | tetrazoles | ||
| 1-[4-(3-chloro-2,4,6-trifluorophenyl)sulfonyl-1-piperazinyl]ethanone | sulfonamide | ||
| 3-(diethylsulfamoyl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester | benzoate ester | ||
| 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide | anilide | ||
| 5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 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 | ||
| 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide | quinazolines | ||
| N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamide | benzamides | ||
| thioguanine anhydrous | Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
| 2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile | nitrile; pyridines | ||
| 5-anilino-3-oxo-4-isothiazolecarbonitrile | substituted aniline | ||
| 5-(4-chloroanilino)-3-oxo-4-isothiazolecarbonitrile | substituted aniline | ||
| 5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile | substituted aniline | ||
| N-benzyl-N'-methyl-N-(pyridin-3-ylmethyl)thiourea | pyridines | ||
| 5-Methyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one | pyridazines | ||
| 3-(4-Chloroanilino)propanoic acid | organonitrogen compound; organooxygen compound | ||
| 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine | quinolines | ||
| 6-cyclohex-3-enyl-5-nitropiperidin-2-one | piperidones | ||
| 3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one | pyrazoles | ||
| 2,2-dimethyl-N-pyridin-4-yl-3H-benzofuran-7-carboxamide | 1-benzofurans | ||
| N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide | ring assembly; thiophenes | ||
| 3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
| 4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamide | biphenyls | ||
| N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide | carbonyl compound; organohalogen compound | ||
| N-(4-chlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-1,2,4-triazol-3-yl]thio]acetamide | anilide | ||
| N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide | anilide | ||
| N-(6-methoxy-3-pyridinyl)-2-thiophenecarboxamide | aromatic amide; thiophenes | ||
| 3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione | dichlorobenzene | ||
| 2,6-dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester | phenylpyridine | ||
| 3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole | pyrazoles; ring assembly | ||
| 2-(2-Thienyl)-1,3-thiazole-4-carboxylic acid | aromatic carboxylic acid; thiazoles | ||
| 6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine | 6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine: inhibitor of SARS-CoV main protease; structure in first source | sulfonic acid derivative | anticoronaviral agent |
| 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]propanoic acid ethyl ester | aryl sulfide | ||
| N-[amino(1-pyrrolidinyl)methylidene]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide | dichlorobenzene | ||
| 2,6-dimethoxy-N-(1-methyl-1H-pyrazol-5-yl)benzamide | dimethoxybenzene | ||
| 5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide | aromatic amide | ||
| 5-[[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester | aromatic amide; furans | ||
| 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one | triazoles | ||
| N'-(3-chloro-4-methylphenyl)-5-isoxazolecarbohydrazide | phenylhydrazines | ||
| 2-(1,3-dimethyl-1H-pyrazol-5-yl)-1H-isoindole-1,3(2H)-dione | phthalimides | ||
| 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine | imidazoles | ||
| N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide | sulfonamide | ||
| LSM-28486 | pyrazolopyrimidine | ||
| 3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid | pyrazoles; ring assembly | ||
| 2-amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrile | phenylpyridine | ||
| 2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridine | aryl sulfide | ||
| 8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester | thiophenecarboxylic acid | ||
| 2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | monoterpenoid | ||
| 3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester | carbamate ester | ||
| 3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(3-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid | thioureas | ||
| 4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine | 4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine: an mTOR activator; structure in first source | ||
| (4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone | aromatic ketone | ||
| N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine | N-alkylpyrrolidine | ||
| N-[2-(4-chlorophenoxy)ethyl]-5-(3,5-dimethyl-1-piperazinyl)-2-nitroaniline | piperazines | ||
| 2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine | quinazolines | ||
| 4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxaline | pyrroline | ||
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester | methoxybenzenes; phenols | ||
| 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-6-nitro-1H-benzimidazole | aryl sulfide | ||
| N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide | hydroxyquinoline | ||
| N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide | monoterpenoid | ||
| N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamide | C-nitro compound | ||
| N-(4-fluorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide | piperazines | ||
| 4-chloro-3-(diethylsulfamoyl)-N-(2-nitrophenyl)benzamide | benzamides | ||
| 2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide | sulfonamide | ||
| 1-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile | aminopyridine | ||
| 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester | benzenesulfonate ester | ||
| (3-amino-5-nitro-2-benzofuranyl)-phenylmethanone | aromatic ketone | ||
| 3-acetamidobenzoic acid [2-(4-methylphenyl)-2-oxo-1-phenylethyl] ester | benzoins | ||
| 1-(3,4-dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione | pyrrolidines | ||
| N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide | xanthenes | ||
| 4-ethoxy-N-(3-quinolinyl)benzenesulfonamide | quinolines | ||
| 2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione | isoquinolines | ||
| N-[4-(butylsulfamoyl)phenyl]-2-phenyl-2-(phenylthio)acetamide | sulfonamide | ||
| 1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone | olefinic compound | ||
| importazole | importazole: an importin-8 inhibitor; structure in first source | quinazolines | |
| 4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide | sulfonamide | ||
| N-[amino-[2-(1H-indol-3-yl)ethylimino]methyl]-4-chlorobenzamide | indoles | ||
| 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-3-dibenzofuranyl)acetamide | dibenzofurans | ||
| 1-[2-(hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol | indoles | ||
| 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea | piperazines | ||
| 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hydroxy-3-phenyl-1-isoindolone | pyrazoles; ring assembly | ||
| 1-(4-methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine | piperazines | ||
| cb 7969312 | organochlorine compound; quinolines | ||
| 4H-[1,3]thiazino[3,2-a]benzimidazol-4-ol | benzimidazoles | ||
| 2-[1-(4-chlorophenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-4-imidazolidinyl]-N-(4-fluorophenyl)acetamide | imidazolidines | ||
| N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]-1-piperidinecarboxamide | aromatic ketone | ||
| 1-(1,3-benzodioxol-5-yl)-3-[4-(4-hydroxyphenyl)-1-piperazinyl]pyrrolidine-2,5-dione | piperazines | ||
| 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]ethanone | sulfonamide | ||
| 1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester | carboxylic acid; piperidines | ||
| 3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline | dialkylarylamine; tertiary amino compound | ||
| N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamide | N-acyl-amino acid | ||
| N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide | amphetamines | ||
| u 0126 | U 0126: protein kinase kinase inhibitor; structure in first source | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
| 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 |
| e 7010 | E 7010: inhibits tubulin polymerization; structure given in first source | sulfonamide | |
| 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 | |||
| zd 6474 | CH 331: structure in first source | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
| aldisine | |||
| 3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide | aromatic ether; C-nitro compound | ||
| 2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzimidazol-5-amine | benzimidazoles | ||
| N-methyl-5-nitro-N-(phenylmethyl)-2-furancarboxamide | C-nitro compound; furans | ||
| 2-[[2,2,2-trichloro-1-[(2,2-dimethyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester | thiophenecarboxylic acid | ||
| N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-fluorobenzamide | benzamides | ||
| phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone | aromatic ketone | ||
| 2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile | indoles | ||
| N'-[(2-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
| N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline | triazoles | ||
| 3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide | sulfonamide | ||
| 1-[3-(benzenesulfonyl)-2-(1-piperidinyl)propyl]piperidine | sulfonamide | ||
| 6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester | carboxylic ester | ||
| 5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione | indoles | ||
| N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide | ||
| 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide | benzoxazole | ||
| N-[2-[1-methyl-5-[[(4-methylphenyl)-oxomethyl]amino]-2-benzimidazolyl]ethyl]-2-furancarboxamide | benzimidazoles | ||
| 1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| 4-amino-N5-(4-butoxyphenyl)-N5-[2-(cyclohexylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide | aromatic amide | ||
| N-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-oxolanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide | pyrroles | ||
| 1-[2-(diethylamino)ethyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-(2-oxolanylmethyl)thiourea | quinolines | ||
| N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide | quinolines | ||
| 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide | azaspiro compound | ||
| 2-[(3,6-dimethyl-2-quinolinyl)thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone | quinolines | ||
| 3-(2,4-dimethoxyphenyl)-1-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea | quinolines | ||
| CID 3192987 | N-arylpiperazine | anticoronaviral agent | |
| [4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
| 2-[2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester | tetrazoles | ||
| N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide | aromatic amide; furans | anticoronaviral agent | |
| 2-[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide | monoterpenoid | ||
| 2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone | imidazoles | ||
| 1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-phenylphenyl)urea | piperidines | ||
| 1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)thiourea | thioureas | ||
| N1-cyclohexyl-N2-cyclopropylpyrrolidine-1,2-dicarboxamide | proline derivative | ||
| 1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thiourea | aminoquinoline | ||
| [4-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
| N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N',N'-dimethylpropane-1,3-diamine | pyrimidines | ||
| 1-[(4-fluorophenyl)methyl]-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide | aromatic amide | ||
| 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester | benzothiazoles | ||
| 2-[(3-methoxyphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester | benzoic acids | ||
| N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methyl-2-imidazo[2,1-b]thiazolecarboxamide | imidazoles | ||
| 4-[[2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester | imidazoles | ||
| 4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-(4-methyl-2-pyridinyl)butanamide | quinolines | ||
| 5-(phenylmethoxymethyl)-7-(1-piperidinylmethyl)-8-quinolinol | hydroxyquinoline | ||
| N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide | indanes | ||
| 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide | 1,3-oxazoles | ||
| 3-chloro-4-ethoxy-N-[3-(2-oxazolo[5,4-b]pyridinyl)phenyl]benzamide | benzamides | ||
| 3,7-dimethyl-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide | pyrazoles; ring assembly | ||
| 1-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[2-(dipropylamino)ethyl]-4-piperidinecarboxamide | 1,3-oxazoles | ||
| N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamide | piperazines; pyridines | ||
| 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-[3-(1-pyrrolidinyl)propyl]acetamide | 1,3-oxazoles | ||
| 6-[(2-ethylphenyl)sulfamoyl]-N-(2-furanylmethyl)-4-oxo-1H-quinoline-3-carboxamide | aromatic amide; quinolines | ||
| 2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile | aryl sulfide | ||
| N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide | ureas | ||
| 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide | dimethoxybenzene | ||
| 4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester | ethyl ester; pyrroles; tertiary carboxamide | ||
| 2-[3-[3-(2-furanylmethylamino)-3-oxopropyl]-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetic acid (phenylmethyl) ester | alpha-amino acid ester | ||
| N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide | 1,3-oxazoles | ||
| N-butan-2-yl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide | aromatic amide; quinolines | ||
| 3-methyl-5-(4-morpholinylsulfonyl)-N-(2-pyridinylmethyl)-2-benzofurancarboxamide | benzofurans | ||
| 4-[3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide | benzenes; sulfonamide | ||
| 2-(6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid | benzoic acids; pyranopyrazole | ||
| 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide | sulfonamide | ||
| N-[4-(difluoromethoxy)phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamide | thioureas | ||
| gtp 14564 | pyrazoles; ring assembly | ||
| N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine | C-nitro compound | ||
| 2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile | pyrazoles; ring assembly | ||
| N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide | oxadiazole; ring assembly | ||
| 2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-2H-pyridine | methoxybenzenes | ||
| N-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)-4-thiazolecarboxamide | aromatic amide; thiazoles | ||
| 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester | benzoate ester; phenols | ||
| 1-(3-methoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea | ureas | ||
| 1-(3,4-dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]urea | ureas | ||
| N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester | organonitrogen compound; organosulfur compound | ||
| LSM-16990 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide | organonitrogen compound; organooxygen compound | ||
| 2-benzoylimino-1-(2-furanylmethyl)-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester | pyridopyrimidine | ||
| N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamide | benzamides | ||
| 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 | ||
| 2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester | organofluorine compound | ||
| N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide | piperazines | ||
| N'-[(3-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
| 2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-4-quinolinecarboxamide | quinolines | ||
| 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide | benzothiazoles | ||
| 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione | aromatic ether | ||
| ML162 | ML162 : A monochlorobenzene that is benzene substituted by (chloroacetyl){2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl}amino, chloro and methoxy groups at positions 1, 3 and 4, respectively. It is a covalent inhibitor of glutathione peroxidase 4 (GPX4) that induces ferroptosis in cells. | monochlorobenzenes; monomethoxybenzene; organochlorine compound; secondary carboxamide; tertiary carboxamide; thiophenes | EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer |
| 2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide | organonitrogen compound; organooxygen compound | ||
| 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide | organonitrogen compound; organooxygen compound | ||
| 2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide | diarylmethane | ||
| 5-[3-[[(4-methylphenyl)-oxomethyl]hydrazo]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid dimethyl ester | amidobenzoic acid | ||
| 4-chloro-N-(2-methoxy-1-phenazinyl)benzamide | phenazines | ||
| 3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one | ring assembly; thiophenes | ||
| LSM-1924 | organic heterotricyclic compound; organooxygen compound | ||
| 2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile | aromatic ketone | ||
| N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine | C-nitro compound | ||
| 2-(4-chlorophenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide | aromatic ether | ||
| 4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 1-bromo-3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazol-10-yl)-2-propanol | carbazoles | ||
| 5-tert-butyl-7-(4-ethyl-1-piperazinyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine | N-arylpiperazine | ||
| 2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | dimethoxybenzene | anticoronaviral agent | |
| N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide | organonitrogen compound; organooxygen compound | ||
| 1-(4-chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]urea | ureas | ||
| 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 | ||
| 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-phenyl-1-butanone | piperazines | ||
| 2-furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone | sulfonamide | ||
| 1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazole | methoxybenzenes | anticoronaviral agent | |
| 6-nitro-3-phenyl-1H-benzimidazole-2-thione | benzimidazoles | ||
| LSM-22738 | organic heterotricyclic compound; organooxygen compound | ||
| fg 9041 | FG 9041: structure given in first source | quinoxaline derivative | |
| N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide | quinolines | ||
| 4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine | benzodioxine; thienopyrimidine | ||
| 2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one | benzimidazoles | ||
| N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide | triazolopyridine | ||
| 4-tert-butylbenzoic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester | dibenzofurans | ||
| N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-quinolinecarboxamide | aromatic amide | ||
| 4-oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester | oxo carboxylic acid | ||
| N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide | anthraquinone | ||
| 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea | indoles | ||
| [4-[(2-chlorophenyl)methylsulfonyl]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone | piperazines; pyridines | ||
| 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile | quinolines | ||
| 7-chloro-4-[(2-fluorophenyl)-oxomethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one | benzodiazepine | ||
| 4-amino-3-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-2-sulfanylidene-5-thiazolecarboxamide | aromatic amide | ||
| 2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide | quinolines | ||
| [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone | quinolines | ||
| 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide | benzamides | ||
| 7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine | pyrazoles; ring assembly | ||
| LSM-16386 | monoterpenoid | ||
| 2-(4-methoxyphenyl)sulfonylquinoxaline | quinoxaline derivative | ||
| N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(dimethylsulfamoyl)benzamide | sulfonamide | ||
| 2-(hexylamino)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone | piperidines | ||
| 5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | triazolopyrimidines | ||
| N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide | C-nitro compound; secondary carboxamide; tertiary carboxamide; trifluoroacetamide | ||
| 1-[(2,4-dichlorophenyl)methyl]-4-(methylthio)-2-oxo-6-phenyl-3-pyridinecarbonitrile | phenylpyridine | ||
| 6-benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone | aromatic ketone | ||
| N-[3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxo-1-pyrrolidinyl)benzamide | benzamides | ||
| 4-(3-chlorophenyl)sulfonyl-N-cyclohexyl-N-methyl-3-nitrobenzamide | C-nitro compound | ||
| 6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine | C-nitro compound | ||
| N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-methylbenzamide | benzamides | ||
| N-(3-methoxyphenyl)-1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxamide | aromatic amide | ||
| 2-(N-(2-chloro-1-oxoethyl)-4-fluoroanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide | organonitrogen compound; organooxygen compound | ||
| 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide | organonitrogen compound; organooxygen compound | ||
| 2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide | organonitrogen compound; organooxygen compound | ||
| 4-(2,5-dioxo-1-pyrrolidinyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide | amidobenzoic acid | ||
| 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-phenylethyl]thiourea | thioureas | ||
| 5-nitro-2-furancarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester | sulfonamide | ||
| 3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea | organofluorine compound | ||
| N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide | benzamides | ||
| 4-bromo-N-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide | carbonyl compound; organohalogen compound | ||
| N-(3-chlorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridinylmethyl)-5-thiazolidinyl]acetamide | anilide | ||
| 2-chloro-N-(1,2-diphenylethyl)acetamide | stilbenoid | ||
| 1-(2-methoxy-3-dibenzofuranyl)-3-(3-methylphenyl)thiourea | dibenzofurans | ||
| 2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone | toluenes | anticoronaviral agent | |
| N-(1-dibutoxyphosphoryl-4-oxo-1-naphthalenyl)benzenesulfonamide | naphthalenes | ||
| 2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide | aromatic ketone | ||
| 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 |
| N-[3-(1-azepanylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide | aromatic amide | ||
| 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione | aromatic ether | ||
| 2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone | pyridopyrimidine | ||
| 1-(3-chlorophenyl)-3-pyridin-4-ylurea | ureas | ||
| 2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester | quinolines | ||
| 4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide | benzamides | ||
| 4-chloro-N-[3-(N-methylanilino)-1,4-dioxo-2-naphthalenyl]benzamide | 1,4-naphthoquinones | ||
| 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester | amidobenzoic acid | ||
| 8-nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinoline | isoquinolines | ||
| N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(3-pyridinyl)-4-quinazolinamine | organonitrogen heterocyclic compound | ||
| 7-chloro-N-(phenylmethyl)-4-quinolinamine | aminoquinoline | ||
| 1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea | ureas | ||
| 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester | sulfonamide | ||
| N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethoxy)benzamide | benzamides | ||
| 2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine | piperidines | ||
| 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(dimethylamino)propyl]-1-ethylthiourea | benzodioxine | ||
| 1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thiourea | indoles | ||
| 4-[4-(4-acetylphenyl)-1-piperazinyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide | aromatic ketone | ||
| 2-[[4-(2-methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile | sulfonamide | ||
| LSM-24516 | pyranopyridine | ||
| 2-(Chloroacetyl)-N,2-diphenylhydrazinecarboxamide | ureas | anticoronaviral agent | |
| 2-chloro-1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]ethanone | aromatic ketone | ||
| N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine | N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a pyridin-3-yl group and a (1-benzylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively. | aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound | |
| N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide | amino acid amide | ||
| 5-[(3-nitro-2-pyridinyl)thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine | aryl sulfide | ||
| LSM-24595 | amino acid amide | ||
| N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide | aromatic amide | anticoronaviral agent | |
| [5-(4-fluorophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[2-(3-pyridinyl)-1-piperidinyl]methanone | pyrimidines | ||
| 2-(4-methylphenoxy)-N-[2-[oxo(1-piperidinyl)methyl]phenyl]acetamide | benzamides; N-acylpiperidine | ||
| 2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | pyrazolidines | anticoronaviral agent | |
| 2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester | alpha-amino acid ester | ||
| 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester | amino acid amide | ||
| N-[(4-chlorophenyl)methyl]-2-[[[(2-fluorophenyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]acetamide | amino acid amide | ||
| 1-(7-methyloctyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea | sulfonamide | ||
| 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 |
| 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile | aromatic ketone | ||
| LSM-25964 | organic heterotricyclic compound; organooxygen compound | ||
| N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methyl-4-piperidinyl)amino]acetamide | amino acid amide | ||
| 2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole | C-nitro compound | ||
| 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 | |
| 1-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea | sulfonamide | ||
| 5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamide | dichlorobenzene | ||
| 4-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone | pyrazoles; ring assembly | ||
| 4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamide | benzamides | ||
| N,N-diethylcarbamodithioic acid (2,2,2-trichloro-1-formamidoethyl) ester | organonitrogen compound; organosulfur compound | ||
| 5-benzoyl-6-methyl-4-[4-(4-morpholinyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one | morpholines | ||
| N-(5-acetyl-4-methyl-2-thiazolyl)-2-(2,4-dichlorophenoxy)acetamide | thiazoles | ||
| eupatilin | eupatilin : A trimethoxyflavone that is flavone substituted by hydroxy groups at C-5 and C-7 and methoxy groups at C-6, C-3' and C-4' respectively. Isolated from Citrus reticulata and Salvia tomentosa, it exhibits anti-inflammatory, anti-ulcer and antineoplastic activities. eupatilin: isolated from Artemisia argyi | dihydroxyflavone; trimethoxyflavone | anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
| 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 | |
| ayanin | 3',5-dihydroxy-3,4',7-trimethoxyflavone : A trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4' and 7 have been replaced by methoxy groups. ayanin: has cytoprotective and anti-neuroinflammatory activities; isolated from Croton schiedeanus (Euphorbiaceae); structure in first source | dihydroxyflavone; trimethoxyflavone | plant metabolite |
| Euparotin acetate | sesquiterpene lactone | ||
| norlichexanthone | norlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus. norlichexanthone: isolated from fungus P16; structure in first source | polyphenol; xanthones | antimalarial; fungal metabolite |
| morin | morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria) | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
| myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
| santin | santin : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively. santin: from Tanacetum microphyllum; structure given in first source | dihydroxyflavone; trimethoxyflavone | plant metabolite |
| caffeic acid phenethyl ester | phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
| 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 | |
| curacin a | curacin A: RN refers to curacin A (the Z,E,E-isomer), the major lipid component of a strain of the marine cyanobacterium Lyngbya majuscula; structure given in first source | thiazoles | |
| 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 |
| isotretinoin | isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases. Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects. | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
| astrogorgiadiol | astrogorgiadiol: structure in first source | sesquiterpenoid | |
| 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 |
| aftin-4 | aftin-4: increases production of amyloid-beta protein (1-42) | ||
| N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
| 2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one | isoindoles | ||
| 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide | benzothiazoles | ||
| 3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide | pyrazoles; ring assembly | ||
| 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | indoles | ||
| a 192621 | A 192621: ET(B) receptor antagonist | ||
| irl 2500 | IRL 2500: Endothelin-B receptor antagonist; structure in first source | ||
| vinorelbine | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent | |
| ro 46-8443 | Ro 46-8443: a non-peptide endothelin ET(B) receptor selective antagonist; structure given in first source | ||
| centaureidin | centaureidin : A trihydroxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii and Athroisma proteiforme. centaureidin: structure given in first source; isolated from Tanacetum microphyllum, Brickellia veronicaefolia | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite |
| eupatin | eupatin : A trimethoxyflavone that is quercetagetin methylated at positions 4', 6 and 7. | flavonols; trihydroxyflavone; trimethoxyflavone | |
| 5,7-dihydroxy-4',6-dimethoxyflavone | 5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C. pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein. | dihydroxyflavone; dimethoxyflavone | plant metabolite |
| casein kinase ii | Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression. | ||
| 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 |
| 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 | ||
| (2e)-3-phenyl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one | |||
| Bucharaine | quinolines | ||
| fosbretabulin | stilbenoid | ||
| sulindac sulfide | sulindac sulfide : An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. sulindac sulfide: sulfated analog of indomethacin & inhibitor of prostaglandin synthesis in vitro; RN given refers to cpd without isomeric designation; structure given in first source | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
| 5,7,3'-trihydroxy-3,4'-dimethoxyflavone | 5,7,3'-trihydroxy-3,4'-dimethoxyflavone: induced cell death in human leukemia cells is dependent on caspases and activates the MAPK pathway; structure in first source quercetin 3,4'-dimethyl ether : A dimethoxyflavone that is the 3,4'-dimethyl ether derivative of quercetin. Isolated from Combretum quadrangulare, it exhibits antineoplastic activity. | dimethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
| 1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene | |||
| vinblastine sulfate | |||
| serratin | serratin: isolated from the essential oil of Clerodendron serratum; structure in first source | neoflavonoid | |
| ternatin (flavonoid) | ternatin (flavonoid): from Sceptridium ternatum; also isolated from Egletes viscosa; structure in first source | ether; flavonoids | |
| sulindac sulfone | sulindac sulfone : A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor. sulindac sulfone: inhibits K-ras-dependent cyclooxygenase-2; sulfated analog of indomethacin;; CP248 is an antineoplastic agent that fosters microtubule depolymerization; structure in first source | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| 2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one | 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively. 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor | organic heterotetracyclic compound; organofluorine compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| vx680 | N-arylpiperazine | ||
| 3,3'-diethylthiatricarbocyanine iodide, 3h-labeled | |||
| 5233705 compound | |||
| 10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one | pyridochromene | ||
| gw-5074 | |||
| [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone | piperazines; pyridines | ||
| oroidin | oroidin: from marine sponges of the genus Agelas; structure in first source | pyrroles; secondary carboxamide | metabolite |
| 1-(3,4-dimethylphenyl)-4-(4-methyl-1-piperidinyl)phthalazine | pyridazines; ring assembly | ||
| 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone | aromatic ketone | ||
| cyc 116 | 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | ||
| ro 47-8634 | Ro 47-8634: structure in first source | ||
| clazosentan | clazosentan: endothelin A receptor antagonist used for cerebral vasospasm; structure in first source; | ||
| lu 224332 | felotaxel: an antineoplastic agent; structure in first source | ||
| cryptophycin 1 | |||
| 4-hydroxyderricin | 4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first source | chalcones | |
| pironetin | pironetin: a microbial secondary metabolite having the activity of shortening plant height from Streptomyces sp.; structure in first source | aliphatic alcohol | |
| mdl 27048 | MDL 27048: structure given in first source; powerful & reversible microtubule inhibitor | ||
| pregna-4,17-diene-3,16-dione | pregna-4,17-diene-3,16-dione: steroid from guggulu extract; RN & N1 from C1 Form index; RN given refers to cpd without isomeric designation; structure in first source; antagonist of farnesoid X receptor | 3-hydroxy steroid | androgen |
| 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 | |
| trk 820 | TRK 820: structure in first source | phenanthrenes | |
| ekb 569 | EKB 569: an EGF receptor kinase inhibitor | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
| axitinib | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | |
| abt-100 | ABT-100: farnesyltransferase inhibitor; structure in first source | ||
| 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea | ureas | ||
| 2-chloro-N-(1-methyl-3-pyrazolyl)acetamide | aromatic amide | ||
| (3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester | harmala alkaloid | ||
| gw2974 | GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 | pyridopyrimidine | |
| N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide | aromatic amide | ||
| 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 | |
| lu 208075 | ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertension | diarylmethane | |
| hti-286 | HTI-286: a synthetic analog of the tripeptide hemiasterlin; structure in first source | ||
| 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 |
| N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide | triazolopyrimidines | ||
| N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide | pyridazines; ring assembly | ||
| 3-(ethylthio)-6-(2-furanyl)pyridazine | aryl sulfide | ||
| N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide | benzothiazoles | ||
| 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 | |
| 4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol | imidazoles | ||
| N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide | quinolines | ||
| 2-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine | sulfonamide | ||
| N-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide | indanes | ||
| 3-(diphenylmethylene)-1-[4-(4-phenyl-1-piperazinyl)butyl]pyrrolidine-2,5-dione | diarylmethane | ||
| alpha-solanine | glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative | antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite | |
| sl 327 | SL 327: a MEK inhibitor SL-327 : A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. | ||
| N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamide | aromatic amide | ||
| N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide | quinazolines | ||
| 1-(3,5-dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea | benzothiazine | ||
| N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide; thiophenes | ||
| ave-8063 | AVE-8063: has both antivascular and antineoplastic activities; structure in first source | ||
| 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 | |
| dolastatin 10 | dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization. dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
| 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 | |
| n-phenacylthiazolium bromide | N-phenacylthiazolium bromide: structure given in first source | ||
| 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 |
| bms 193884 | |||
| 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 |
| gc 1 compound | GC 1 compound: structure in first source | diarylmethane | |
| sb 242235 | SB 242235: p38 MAP kinase antagonist | ||
| kb 141 | KB 141: an anticholesteremic agent; structure in first source | ||
| ripasudil | isoquinolines | ||
| fr 148083 | 5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
| osi 930 | OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | aromatic amide | |
| ki 20227 | |||
| ci 1020 | |||
| 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 |
| kb 130015 | KB 130015: structure in first source | ||
| 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 |
| cgs 23425 | CGS 23425: structure given in first source | ||
| 3-hydroxy-4,3',4',5'-tetramethoxychalcone | 3-hydroxy-4,3',4',5'-tetramethoxychalcone: structure in first source | ||
| 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 |
| 3,5-bis(2-fluorobenzylidene)piperidin-4-one | 3,5-bis(2-fluorobenzylidene)piperidin-4-one: an antineoplastic agent; structure in first source | ||
| hmn-214 | (E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source | ||
| ct52923 | CT52923: structure in first source | ||
| lu 302872 | LU 224332: endothelin-A/B receptor antagonist | ||
| nsc 348103 | |||
| bms 248360 | |||
| zibotentan | ZD4054: a potent endothelin receptor A antagonist that inhibits ovarian carcinoma cell proliferation | phenylpyridine | |
| tivozanib | N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source | aromatic ether | |
| avosentan | Avosentan: 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 |
| dolastatin 15 | dolastatin 15: from Dolabella auricularia; seven subunit depsipeptide | ||
| 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 | |||
| 3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid | 3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid: a thyroid receptor beta1 agonist; structure in first source | ||
| cediranib | aromatic ether | ||
| arenastatin a | |||
| 4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | |||
| npi 2358 | NPI 2358: antineoplastic; structure in first source plinabulin : A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by benzylidene and (5-tert-butyl-1H-imidazol-4-yl)methylidene groups at positions 3 and 6, respectively. It is a vascular disrupting agent and a microtubule destabalising agent which was in clinical trials (now discontinued) for the treatment of non-small cell lung cancer. | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
| l-779,450 | L-779,450: B-Raf kinase inhibitor; structure in first source | imidazoles | |
| tak-715 | N-(4-(2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide: anti-rheumatoid arthritis agent; structure in first source | benzamides | |
| 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 | |||
| masitinib | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | |
| 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 | ||
| a 443654 | A 443654: an Akt kinase inhibitor; structure in first source | indoles | |
| bibw 2992 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor | |
| N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide | aminobenzoic acid | ||
| 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 | |
| kb 2115 | 3-((3,5-dibromo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)phenyl)amino)-3-oxopropanoic acid: a thyroid hormone receptor agonist with anticholesteremic activity | ||
| 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 | |
| bpr0l075 | |||
| 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 | |
| cur 61414 | CUR 61414: inhibits the hedehog signaling pathway; 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. | ||
| 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 | |||
| 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| azd 7762 | aromatic amide; thiophenes | ||
| regorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor | |
| 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | methoxybenzenes; substituted aniline | ||
| 2-(4-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 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 | |
| fg-4592 | roxadustat : An N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid. It is an inhibitor of hypoxia inducible factor prolyl hydroxylase (HIF-PH). roxadustat: structure in first source | aromatic ether; isoquinolines; N-acylglycine | EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor |
| 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 |
| ki 8751 | N-(2,4-difluorophenyl)-N'-(4-((6,7-dimethoxy-4-quinolyl)oxy)-2-fluorophenyl)urea: structure in first source | aromatic ether | |
| 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 | ||
| naluzotan | naluzotan: an antidepressant and anti-anxiety agent; structure in first source | ||
| danusertib | piperazines | ||
| ditryptophenaline | ditryptophenaline: structure in first source | ||
| zampanolide | zampanolide: structure in first source | ||
| N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]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 |
| fr 180204 | FR 180204: structure in first source | pyrazoles; ring assembly | |
| 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 | |||
| 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 |
| 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 | ||
| chir-265 | aromatic ether | ||
| motesanib | pyridinecarboxamide | ||
| fostamatinib | fostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406 | ||
| az-628 | AZ-628: a multikinase inhibitor; structure in first source | benzamides | |
| 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 | |
| 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 | ||
| 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 |
| [4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone | C-nitro compound | ||
| 2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide | organonitrogen compound; organooxygen compound | ||
| 2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide | organonitrogen compound; organooxygen compound | ||
| 2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide | organonitrogen compound; organooxygen compound | ||
| 2-[2-fluoro-5-(4-methyl-1-piperazinyl)-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline | piperazines | ||
| 4-[3-(2-furanyl)-4-(3-nitrophenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester | benzoate ester | ||
| N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-quinazolinyl]propanamide | quinazolines | ||
| 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide | naphthalenecarboxamide | ||
| 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazole | isoquinolines | ||
| [9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone | aromatic ketone; quinolines | ||
| 2-(3-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| ortho-topolin riboside | ortho-topolin riboside: has antineoplastic activity; structure in first source | ||
| dehydrocurvularin | macrolide | ||
| malyngamide A | dicarboximide | metabolite | |
| mgl-3196 | resmetirom: a thyroid hormone receptor-beta agonist | ||
| gsk 461364 | GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | (trifluoromethyl)benzenes | |
| 3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide | quinazolines | ||
| macitentan | aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides | antihypertensive agent; endothelin receptor antagonist; orphan drug | |
| 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 |
| 4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide | organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| nvp-tae684 | piperidines | ||
| 4-(4-(3-adamantan-1-ylureido)cyclohexyloxy)benzoic acid | |||
| a 803467 | A 803467: an Nav1.8 sodium channel blocker; structure in first source | ||
| enmd 2076 | ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities | ||
| 2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide | aminopyrimidine; benzamides | protein kinase inhibitor | |
| e 7050 | aromatic ether | ||
| 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone | pyrazolopyridine | ||
| tak-901 | |||
| tannins | gallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). | tannin | |
| (3-propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanone | aromatic ketone | ||
| N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamide | dimethoxybenzene | ||
| 8-methyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5H-thieno[3,2-c]quinoline-2-carboxamide | organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 1-(1-piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol | (trifluoromethyl)benzenes | ||
| [3-(1-methyl-2-pyrrolyl)-1H-pyrazol-5-yl]-[1-(2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone | harmala alkaloid | ||
| N-(2-furanylmethyl)-2-[[4-oxo-3-[3-(1-pyrrolidinyl)propyl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 2-(3,5-dimethyl-1-pyrazolyl)-1-[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethanone | aromatic ketone | ||
| 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidine | pyrazoles; ring assembly | ||
| N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine | pyrazoles; ring assembly | ||
| [1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol | methylindole | ||
| [1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol | 1-benzopyran | ||
| [1-[(1,2-dimethyl-3-indolyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol | piperidines | ||
| 1-(5-isoquinolinylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester | piperidines | ||
| 5-[[1-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]-2-methylthiazole | harmala alkaloid | ||
| [1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone | aromatic ketone | ||
| 1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine | pyrazoles; ring assembly | ||
| 1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]urea | piperidines | ||
| N-[3-(1-azepanyl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide | quinazolines | ||
| 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine | piperidines | ||
| N-(4-ethoxyphenyl)-2-[4-[2-(methylthio)ethyl]-2,5-dioxo-1-imidazolidinyl]acetamide | imidazolidine-2,4-dione | ||
| endothelin-1 | Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63) | ||
| 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 |
| 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| 5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-fluorophenyl)methylsulfonyl]-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 | ||
| (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine | benzenes | ||
| (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine | (trifluoromethyl)benzenes | ||
| 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 | |
| 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 | ||
| (2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester | aromatic amide; tert-butyl ester | ||
| nvp-bhg712 | benzamides | ||
| azd5438 | sulfonamide | ||
| t-tucb | |||
| 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea | monoterpenoid | ||
| N-butyl-4-(phenylmethyl)-1-piperidinecarbothioamide | piperidines | ||
| 2-(2,5-dichlorophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-butanone | azaspiro compound | ||
| 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 |
| 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)propyl]thiourea | monoterpenoid | ||
| 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea | thioureas | ||
| N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide | benzothiazine | ||
| 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 |
| 5-fluoro-2-phenyl-1,2-benzothiazol-3-one | benzothiazoles | ||
| 2-(2-fluorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | acetamides | ||
| kx-01 | |||
| pd 156707 | |||
| fractals | (3S,5R)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3S,5R)-fluvastatin by a sodium ion. | organic sodium salt; statin (synthetic) | |
| 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 |
| 2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester | thienopyridine | ||
| 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 | ||
| amg 458 | 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met inhibitor; structure in first source | ||
| arry-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 | |
| gdc 0449 | HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
| 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 |
| 4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine | dafadine A : An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. | aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines | geroprotector; P450 inhibitor |
| 1-[(2,3-dimethyl-4-imidazolyl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidinecarboxamide | anilide | ||
| N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide | pyrazoles; ring assembly | ||
| (2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diamine | monoterpenoid | ||
| 4-[(2S)-2-[2-(4-ethoxyphenyl)ethylamino]-3-[[(2S)-1-(methylamino)hexan-2-yl]amino]propyl]phenol | amphetamines | ||
| (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-1-propanol | (trifluoromethyl)benzenes | ||
| N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide | piperidines | ||
| N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamide | pyrazoles; ring assembly | ||
| [2-(2-methoxyethyl)-1-piperidinyl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-3-isoxazolyl]methanone | triazoles | ||
| N-methyl-N-(3-pyridinylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-isoxazolecarboxamide | tetralins | ||
| 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide | aromatic ether | ||
| 2-[[[4-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester | N-acyl-amino acid; tert-butyl ester | ||
| 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide | aromatic ether | ||
| 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 | |
| 2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide | piperidines | ||
| 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 | ||
| (5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine | substituted aniline | ||
| 4-(4-acetyloxyphenyl)benzoic acid [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester | biphenyls | ||
| N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide | N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively. | benzamides; biphenyls; cyclopropanes; dicarboxylic acid diamide | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| mk-1775 | adavosertib: a Wee1 kinase inhibitor; structure in first source | piperazines | |
| AMG-208 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
| sch772984 | biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide | analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | |
| 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 | |
| isocombretastatin a-4 | |||
| 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 |
| thiouredopyrenetrisulfonate | N-[1-(methanesulfonyl)piperidin-4-yl]-N'-[4-(trifluoromethoxy)phenyl]urea : A phenylurea that is urea substituted by 1-(methylsulfonyl)piperidin-4-yl and 4-(trifluoromethoxy)phenyl groups at positions 1 and 3 respectively. | phenylureas | EC 3.3.2.10 (soluble epoxide hydrolase) inhibitor |
| act-132577 | ACT-132577 : A member of the class of sulfamides in which one of the amino groups of sulfonamide is substituted by a 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl group. An active metabolite of macitentan (obtained by oxidative depropylation), an orphan drug used for the treatment of pulmonary arterial hypertension. aprocitentan: a macitentan metabolite | aromatic ether; organobromine compound; pyrimidines; sulfamides | antihypertensive agent; drug metabolite; endothelin receptor antagonist; xenobiotic metabolite |
| 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 |
| robotnikinin | robotnikinin: binds sonic hedgehog protein to block its signaling pathway; structure in first source | ||
| defactinib | |||
| ly2584702 | |||
| N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide | benzamides | ||
| bs 194 | |||
| 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-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol | piperidines | ||
| pf 3758309 | PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| 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 |
| 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 | |||
| bay 869766 | |||
| as 703026 | pyridinecarboxamide | ||
| 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 | |
| 4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | WYE-354: an mTOR inhibitor; structure in first source | carbamate ester | |
| endothelins | |||
| dabrafenib | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor | |
| nitd 609 | NITD 609: an antimalarial and coccidiostat; structure in first source | ||
| pki 587 | gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
| 2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide | benzothiazoles | ||
| 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 | ||
| 3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone | N-arylpiperazine | ||
| Mps1-IN-2 | piperidines | ||
| 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 |
| sb 1518 | |||
| abemaciclib | |||
| mk-8776 | |||
| afuresertib | amphetamines | ||
| xmd 8-92 | XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway. | pyrimidobenzodiazepine | protein kinase inhibitor |
| gsk143 | GSK143: a Syk kinase inhibitor; structure in first source | ||
| 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 | |
| longdaysin | |||
| 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 | ||
| 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 | |
| dicumarol | Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
| 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)-3-quinolinecarboxamide | aromatic amide | ||
| lfm a13 | LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties. | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
| 3-benzyl-4-hydroxyquinolin-2(1H)-one | hydroxyquinoline; quinolone | ||
| 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 |
| 5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime | indanes | ||
| MK-8353 | MK-8353 : A member of the class of indazoles that is 1H-indazole substituted by a 6-(propan-2-yloxy)pyridin-3-yl group at position 3 and by a {[(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)pyrrolidin-3-yl]carbonyl}amino group at position 5. It is a potent and selective inhibitor of ERK1 and ERK2 in vitro (IC50 values of 23.0 nM and 8.8 nM, respectively). The drug is being developed by Merck Sharp & Dohme and is currently in clinical development for the treatment of advanced/metastatic solid tumors. MK-8353: ERK inhibitor used in oncology | aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| azd1208 | |||
| vx-509 | |||
| debio 1347 | CH5183284: a fibroblast growth factor receptor antagonist; structure in first source | ||
| volitinib | |||
| 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 |
| ly3009120 | LY3009120 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties. LY3009120: a pan-RAF inhibitor; structure in first source | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
| plx7904 | |||
| 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 | ||
| kf38789 | KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source | ||
| ro 3306 | RO 3306: structure in first source | ||
| 6-[5-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester | pyrimidines | ||
| azaguanine | 8-azaguanine : A triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively. Azaguanine: One of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids. | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
| 2-styrylquinazolin-4(3h)-one | 2-styrylquinazolin-4(3H)-one: structure given in first source | ||
| hymenialdisine | |||
| N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide | sulfonamide | ||
| sb-590885 | N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine | ||
| 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. | ||
| salicylaldehyde thiosemicarbazone | salicylaldehyde thiosemicarbazone: structure given in first source | ||
| 7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one | pyrimidines | ||
| N-[4-[2-[3-(dimethylsulfamoyl)anilino]-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide | sulfonamide | ||
| 1-[4-[[oxo-(7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)methyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester | aromatic amide | ||
| pyridoxal 4-methoxybenzoyl hydrazone | pyridoxal 4-methoxybenzoyl hydrazone: structure given in first source | ||
| bms 536924 | BMS 536924: inhibits insulin-like growth factor I receptor kinase; structure in first source | ||
| 2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one | quinazolines | ||
| debromohymenialdisine | |||
| 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide | pyrimidines | ||
| 5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole | pyrazoles; ring assembly | ||
| 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 |