| CAS ID: | 497223-25-3 |
| Molecular Formula: | C41H52N4O4S |
| Molecular Weight: | 697 g/mol |
| Monoisotopic Mass: | 696.3709 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | TAK-652 | CENICRIVIROC MESYLATE | CENICRIVIROC | TBR-652 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1 | See All |
| InChI Key: | PNDKCRDVVKJPKG-WHERJAGFSA-N | |
| Smiles: | CCCCOCCOc1ccc(cc1)c2ccc3N(CC(C)C)CCC\C(=C/c3c2)\C(=O)Nc4ccc(cc4)[S+]([O-])Cc5cncn5CCC | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT03059446 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Enrolling by invitation |
| First Received | February 23, 2017 | Last Verified | May 2, 2018 |
| Sponsor | Tobira Therapeutics, Inc. | ||
Trial Record 2
| ClinicalTrial ID | NCT02217475 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | August 15, 2014 | Last Verified | November 24, 2017 |
| Sponsor | Tobira Therapeutics, Inc. | ||
Trial Record 3
| ClinicalTrial ID | NCT03028740 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Recruiting |
| First Received | January 23, 2017 | Last Verified | January 8, 2019 |
| Sponsor | Tobira Therapeutics, Inc. | ||
| PubChem: | 11285792 |
| ChEMBL: | CHEMBL2110727 |