Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01333
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| Drug Name |
Boceprevir
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| Synonyms |
(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; 394730-60-0; 89BT58KELH; Boceprevir; CHEBI:68621; EBP 520; SCH 503034; SCH-503034; UNII-89BT58KELH; Victrelis
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| Drug Type |
Small molecular drug
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| Indication | Hepatitis C virus infection [ICD11:1E50.2, 1E51.1] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| 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 |
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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| Pharmaceutical Properties | Molecular Weight | 519.7 | Topological Polar Surface Area | 151 | ||
| Heavy Atom Count | 37 | Rotatable Bond Count | 10 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
3.1
|
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| PubChem CID | ||||||
| PubChem SID |
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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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Boceprevir was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Drug interactions and protease inhibitors used in the treatment of hepatitis C: how to manage? Eur J Clin Pharmacol. 2014 Jul;70(7):775-89. | |||||
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