| CAS ID: | 801283-95-4 |
| Molecular Formula: | C40H49BrN6O9S |
| Molecular Weight: | 869.8 g/mol |
| Monoisotopic Mass: | 868.2465 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | FALDAPREVIR SODIUM | BI 201335 | BI 201335 NA | Faldaprevir |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1 | See All |
| InChI Key: | LLGDPTDZOVKFDU-XUHJSTDZSA-N | |
| Smiles: | COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)O)cc(nc2c1Br)c6csc(NC(=O)C(C)C)n6 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT01909778 | Disease | Liver fibrosis |
| Phase | Phase 1 | Status | Completed |
| First Received | July 29, 2013 | Last Verified | August 10, 2015 |
| Sponsor | Boehringer Ingelheim | ||
| PubChem: | 42601552 |
| ChEMBL: | CHEMBL1241348 |