| CAS ID: | 402957-28-2 |
| Molecular Formula: | C36H53N7O6 |
| Molecular Weight: | 679.9 g/mol |
| Monoisotopic Mass: | 679.4057 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | D-Telaprevir | TELAPREVIR | INCIVO | MP-424 | VRT-111950 | INCIVEK | VX-950 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1 | See All |
| InChI Key: | BBAWEDCPNXPBQM-GDEBMMAJSA-N | |
| Smiles: | CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c3cnccn3)C4CCCCC4)C(C)(C)C)C(=O)C(=O)NC5CC5 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT01500616 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | December 28, 2011 | Last Verified | August 18, 2016 |
| Sponsor | Janssen-Cilag International NV | ||
Trial Record 2
| ClinicalTrial ID | NCT01508286 | Disease | Liver fibrosis |
| Phase | Status | - | |
| First Received | January 11, 2012 | Last Verified | July 24, 2015 |
| Sponsor | Janssen-Cilag International NV | ||
| PubChem: | 3010818 |
| ChEMBL: | CHEMBL231813 |