| CAS ID: | 300832-84-2 |
| Molecular Formula: | C40H50N6O8S |
| Molecular Weight: | 774.9 g/mol |
| Monoisotopic Mass: | 774.3411 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | BILN 2061 ZW | CILUPREVIR | BILN-2061 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1 | See All |
| InChI Key: | PJZPDFUUXKKDNB-KNINVFKUSA-N | |
| Smiles: | COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)O)NC(=O)OC6CCCC6)cc(nc2c1)c7csc(NC(C)C)n7 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT02226939 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | August 27, 2014 | Last Verified | August 27, 2014 |
| Sponsor | Boehringer Ingelheim | ||
| PubChem: | 9853710 |
| ChEMBL: | CHEMBL297884 |