| CAS ID: | 1377049-84-7 |
| Molecular Formula: | C49H54N8O8 |
| Molecular Weight: | 883 g/mol |
| Monoisotopic Mass: | 882.4065 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | GS-5816 | VELPATASVIR |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1 | See All |
| InChI Key: | FHCUMDQMBHQXKK-CDIODLITSA-N | |
| Smiles: | COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)c2ccccc2)c3nc(c[nH]3)c4ccc5c(COc6cc7c(ccc8nc([nH]c78)[C@@H]9CC[C@H](C)N9C(=O)[C@@H](NC(=O)OC)C(C)C)cc56)c4 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT02996682 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | December 19, 2016 | Last Verified | February 26, 2019 |
| Sponsor | Gilead Sciences | ||
Trial Record 2
| ClinicalTrial ID | NCT02201901 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | July 28, 2014 | Last Verified | November 15, 2018 |
| Sponsor | Gilead Sciences | ||
| PubChem: | 67683363 |
| ChEMBL: | CHEMBL3545062 |