Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0V3YT
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| Former ID |
DNC011192
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| Drug Name |
BOCEPREVIR
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| Synonyms |
Boceprevir; Victrelis; 394730-60-0; SCH 503034; EBP 520; UNII-89BT58KELH; SCH-503034; 89BT58KELH; CHEBI:68621; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide
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| Drug Type |
Small molecular drug
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| Indication | Hepatitis C virus infection [ICD-11: 1E51.1; ICD-10: B18.2] | Approved | [1], [2] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C27H45N5O5
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| Canonical SMILES |
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C
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| InChI |
1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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| InChIKey |
LHHCSNFAOIFYRV-DOVBMPENSA-N
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| CAS Number |
CAS 394730-60-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
15333889, 22433429, 22693607, 41390184, 46512784, 57374555, 57414843, 79603721, 92309409, 96025559, 103500897, 109692987, 134348397, 135216213, 137186019, 137251857, 139040316, 152258143, 160645839, 160646982, 162256796, 163667336, 164837112, 175427026, 175427127, 176245990, 180371765, 198992422, 223366205, 223669397, 226940314, 245972903, 249582863, 251970943, 252076908
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| ChEBI ID |
CHEBI:68621
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| ADReCS Drug ID | BADD_D00283 | |||
| SuperDrug ATC ID |
J05AE12
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| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hepatitis C virus Serine protease NS3/4A (HCV NS3/4A) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7876). | |||
| REF 2 | 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4. | |||
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