Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0WS1V
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| Former ID |
DPR000066
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| Drug Name |
L-751250
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| Synonyms |
Purvalanol B; 212844-54-7; PURVALANOL; Purvalanol B(NG-95); (R)-2-chloro-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzoic acid; (2R)-2-[[6-[(3-CHLORO-4-CARBOXYPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL; CHEMBL23254; CHEBI:49840; NG 95; NG-95; C20H25ClN6O3; 2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid; J-502183; PVB
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| Drug Type |
Small molecular drug
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| Indication | Obesity [ICD-11: 5B81; ICD-10: E66; ICD-9: 278] | Preclinical | [1] | |
| Company |
Merck
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| Structure |
 |
Download2D MOL |
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| Formula |
C20H25ClN6O3
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| Canonical SMILES |
CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)O)Cl
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| InChI |
1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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| InChIKey |
ZKDXRFMOHZVXSG-HNNXBMFYSA-N
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| CAS Number |
CAS 212844-54-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
833670, 7890114, 10300280, 11108269, 11114141, 12015293, 14783254, 14807672, 36890680, 46393381, 46505031, 49681225, 49742670, 51043370, 57404898, 85789036, 92192283, 103192479, 104640253, 124887039, 129914506, 134339524, 134340396, 137008020, 142430757, 152344434, 160965905, 162023171, 174007100, 174561033, 175438272, 179694572, 210275735, 210281396, 223366137, 223394425, 226415407, 241182545, 241375514, 249617344, 251962706, 252089079, 252216138, 252435008, 252480574, 252543341
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| ChEBI ID |
CHEBI:49840
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60. | |||
| REF 2 | Down-regulation of survivin in nitric oxide-induced cell growth inhibition and apoptosis of the human lung carcinoma cells. J Biol Chem. 2004 May 7;279(19):20267-76. | |||
| REF 3 | Pharmacological inhibitors of cyclin-dependent kinases. Trends Pharmacol Sci. 2002 Sep;23(9):417-25. | |||
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