Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06LUZ
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| Former ID |
DIB013220
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| Drug Name |
GS-5885
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| Synonyms |
Ledipasvir; 1256388-51-8; GS-5885; UNII-013TE6E4WV; GS5885; GS 5885; WHO 9796; Ledipasvir (GS5885); 013TE6E4WV; CHEBI:85089; methyl [(2S)-1-{(6S)-6-[4-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-5-yl}-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl}-3-methyl-1-oxobutan-2-yl]carbamate; Ledipasvir [USAN:INN]; Ledipasvir (USAN); SCHEMBL2706494; SCHEMBL15116943; CHEMBL2374220; EX-A411; DTXSID90154829; MolPort-039-138-665
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| Drug Type |
Small molecular drug
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| Indication | Hepatitis C virus infection [ICD-11: 1E51.1; ICD-10: B18.2] | Phase 2 | [1] | |
| Company |
Gilead Sciences Inc
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| Structure |
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Download2D MOL |
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| Formula |
C49H54F2N8O6
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| Canonical SMILES |
CC(C)C(C(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)C9C1CCC(C1)N9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC
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| InChI |
1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1
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| InChIKey |
VRTWBAAJJOHBQU-KMWAZVGDSA-N
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| CAS Number |
CAS 1256388-51-8
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:85089
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hepatitis C virus Non-structural 5A (HCV NS5A) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT01435226) GS-5885, GS-9451, Tegobuvir and Ribovirin in Treatment-Experienced Subjects With Chronic Genotype 1a Or 1b Hepatitis C Virus (HCV) Infection. U.S. National Institutesof Health. | |||
| REF 2 | Discovery of ledipasvir (GS-5885): a potent, once-daily oral NS5A inhibitor for the treatment of hepatitis C virus infection. J Med Chem. 2014 Mar 13;57(5):2033-46. | |||
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