Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00273
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| Drug Name |
Danoprevir
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| Synonyms |
DANOPREVIR; ITMN-191; Danoprevir (ITMN-191); Danoprevir (RG7227); UNII-911Z9PCQ5F; ITMN 191; RO5190591; 911Z9PCQ5F; R 7227; RG7227; R7227; Intermune ITMN-191; ITMN B; Danoprevir [USAN:INN]; R-7227; (2R,6S,13aS,14aR,16aS,Z)-6-((tert-butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1; Danoprevir (ITMN191); MLS006011139; R 05190591; CHEMBL258734; C35H46FN5O9S; SCHEMBL2289034; AOB87156; ZINC29058869; s1183; RL05263
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| Drug Type |
Small molecular drug
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| Indication | Hepatitis C virus infection [ICD11:1E50.2, 1E51.1] | Phase 2 | [1] | |||
| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C35H46FN5O9S
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6
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| InChI |
InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1
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| InChIKey |
ZVTDLPBHTSMEJZ-JSZLBQEHSA-N
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| CAS Number |
CAS 850876-88-9
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| Pharmaceutical Properties | Molecular Weight | 731.8 | Topological Polar Surface Area | 189 | ||
| Heavy Atom Count | 51 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 10 | |||
| XLogP |
3.3
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| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [2] | |
| OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [2] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT01220947) A Study of Danoprevir Boosted With Low Dose Ritonavir in Combination With Pegasys and Copegus in Treatment-Naive Patients With Chronic Hepatitis C Virus Infection | |||||
| 2 | FDA Drug Development and Drug Interactions | |||||
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