Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00075
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| Drug Name |
Asunaprevir
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| Synonyms |
BMS 650032; BMS-650032; Sunvepra
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| Drug Type |
Small molecular drug
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| Indication | Hepatitis C virus infection [ICD11:1E50.2, 1E51.1] | Phase 3 | [1] | |||
| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C35H46ClN5O9S
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| Canonical SMILES |
CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
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| InChIKey |
XRWSZZJLZRKHHD-WVWIJVSJSA-N
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| CAS Number |
CAS 630420-16-5
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| Pharmaceutical Properties | Molecular Weight | 748.3 | Topological Polar Surface Area | 191 | ||
| Heavy Atom Count | 51 | Rotatable Bond Count | 14 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 10 | |||
| XLogP |
4.9
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| PubChem CID | ||||||
| PubChem SID | ||||||
| ChEBI ID |
CHEBI:134723
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT02123654) UNITY 3: A Japanese Phase 3 Study of a Daclatasvir/Asunaprevir/BMS-791325 in Subjects With Genotype 1 Chronic Hepatitis C | |||||
| 2 | KEGG: new perspectives on genomes, pathways, diseases and drugs. Nucleic Acids Res. 2017 Jan 4;45(D1):D353-D361. (dg:DG01665) | |||||
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