| CAS ID: | 630420-16-5 |
| Molecular Formula: | C35H46ClN5O9S |
| Molecular Weight: | 748.3 g/mol |
| Monoisotopic Mass: | 747.2705 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | ASUNAPREVIR | BMS-650032 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 | See All |
| InChI Key: | XRWSZZJLZRKHHD-WVWIJVSJSA-N | |
| Smiles: | COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)c5cc(Cl)ccc15 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT02865369 | Disease | Liver fibrosis |
| Phase | Status | Not yet recruiting | |
| First Received | August 12, 2016 | Last Verified | March 7, 2017 |
| Sponsor | Sang Gyune Kim | ||
Trial Record 2
| ClinicalTrial ID | NCT01888900 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | June 28, 2013 | Last Verified | February 7, 2017 |
| Sponsor | National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK) | ||
| PubChem: | 16076883 |
| ChEMBL: | CHEMBL2105735 |