| CAS ID: | 228113-66-4 |
| Molecular Formula: | C40H56ClN3O4S |
| Molecular Weight: | 675 g/mol |
| Monoisotopic Mass: | 674.3986 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | LUM001 | MARALIXIBAT CHLORIDE |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C40H56N3O4S.ClH/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43;/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3;1H/q+1;/p-1/t38-,39-;/m1./s1 | See All |
| InChI Key: | POMVPJBWDDJCMP-RUKDTIIFSA-M | |
| Smiles: | [Cl-].CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c3ccc(OCc4ccc(C[N+]56CCN(CC5)CC6)cc4)cc3)N(C)C | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT02321306 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Withdrawn |
| First Received | December 22, 2014 | Last Verified | March 19, 2019 |
| Sponsor | Mirum Pharmaceuticals, Inc. | ||
Trial Record 2
| ClinicalTrial ID | NCT01904058 | Disease | Liver fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | July 22, 2013 | Last Verified | July 6, 2016 |
| Sponsor | Shire | ||
| PubChem: | 9831642 |
| ChEMBL: | CHEMBL17879 |