Drug Information

Drug General Information
Drug ID
D02HTD
Former ID
DNCL003549
Drug Name
GS-9451
Drug Type
Small molecular drug
Indication Chronic HCV infection [ICD9: 070.4, 070.5, 070.70; ICD10:B17.1, B18.2] Phase 2 [523476]
Company
GILEAD
Structure
Download
2D MOL

3D MOL
Formula
C45H60ClN7O9S
Canonical SMILES
CCC1CC1(C(=O)O)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)OC3C<br />C4CC4C3)OC5=CC(=NC6=C5C=CC(=C6Cl)OCCN7CCOCC7)C8=CSC(=N8<br />)NC(C)C
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
InChIKey
OTXAMWFYPMNDME-OPUYQWCOSA-N
PubChem Compound ID
25167947
PubChem Substance ID
57273738, 137922227, 160672303, 160858736, 162108910, 172232501, 198958833, 223715691, 235421018
Target and Pathway
Target(s) Nonstructural protein NS3 Target Info Modulator [544260]
References
Ref 523476ClinicalTrials.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 544260Characterization 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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