Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02HTD
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| Former ID |
DNCL003549
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| Drug Name |
GS-9451
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| Synonyms |
Vedroprevir; GS-9451; 1098189-15-1; UNII-KGD958X2B9; KGD958X2B9; CHEMBL2013174; Cyclopropanecarboxylic acid, N-[[(1a,3b,5a)-bicyclo[3.1.0]hex-3-yloxy]carbonyl]-3-methyl-L-valyl-(4R)-4-[[8-chloro-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-7-[2-(4-morpholinyl)ethoxy]-4-quinolinyl]oxy]-L-prolyl-1-amino-2-ethyl-, (1R,2R)-; 1310824-24-8; Vedroprevir [USAN:INN]; GS 9451; GS9451; Vedroprevir (USAN); SCHEMBL10082460; SCHEMBL16241357; BDBM50379653; SB16765; DB12037; D10408
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| Drug Type |
Small molecular drug
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| Indication | Chronic HCV-1 infection [ICD-11: 1E51.1; ICD-10: B18.2] | Phase 2 | [1] | |
| Company |
GILEAD
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| Structure |
 |
Download2D MOL |
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| Formula |
C45H60ClN7O9S
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| Canonical SMILES |
CCC1CC1(C(=O)O)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)OC3CC4CC4C3)OC5=CC(=NC6=C5C=CC(=C6Cl)OCCN7CCOCC7)C8=CSC(=N8)NC(C)C
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| InChI |
1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28?,29-,33+,38-,45-/m1/s1
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| InChIKey |
OTXAMWFYPMNDME-OPUYQWCOSA-N
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| CAS Number |
CAS 1098189-15-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hepatitis C virus NS3 helicase (HCV NS3) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT01353248) GS 5885 Administered Concomitantly With GS-9451, Tegobuvir and Ribavirin (RBV) in Chronic Genotype 1 Hepatitis C Virus (HCV) Infection. U.S. National Institutes of Health. | |||
| REF 2 | Characterization of Resistance to the Protease Inhibitor GS-9451 in Hepatitis C Virus-Infected Patients. Antimicrob Agents Chemother. 2012 October; 56(10): 5289-5295. | |||
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