| CAS ID: | 923604-59-5 |
| Molecular Formula: | C38H47N5O7S2 |
| Molecular Weight: | 750 g/mol |
| Monoisotopic Mass: | 749.2917 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | SIMEPREVIR SODIUM | TMC435350 | SIMEPREVIR | TMC-435350 | TMC-435 | OLYSIO |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1 | See All |
| InChI Key: | JTZZSQYMACOLNN-VDWJNHBNSA-N | |
| Smiles: | COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)cc(nc2c1C)c7nc(cs7)C(C)C | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT02206932 | Disease | Liver fibrosis |
| Phase | Phase 4 | Status | Withdrawn |
| First Received | August 1, 2014 | Last Verified | November 25, 2014 |
| Sponsor | University of California, San Francisco | ||
Trial Record 2
| ClinicalTrial ID | NCT02114177 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | April 15, 2014 | Last Verified | April 12, 2016 |
| Sponsor | Janssen Infectious Diseases BVBA | ||
Trial Record 3
| ClinicalTrial ID | NCT02114151 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | April 15, 2014 | Last Verified | April 4, 2016 |
| Sponsor | Janssen Infectious Diseases BVBA | ||
Trial Record 4
| ClinicalTrial ID | NCT02349048 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | January 28, 2015 | Last Verified | March 1, 2017 |
| Sponsor | Janssen Research & Development, LLC | ||
| PubChem: | 24873435 |
| ChEMBL: | CHEMBL501849 |