| CAS ID: | 14605-22-2 |
| Molecular Formula: | C26H45NO5S |
| Molecular Weight: | 483.7 g/mol |
| Monoisotopic Mass: | 483.3018 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | Taurolithocholate | Tauroursodeoxycholic acid |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 | See All |
| InChI Key: | QBYUNVOYXHFVKC-GBURMNQMSA-N | |
| Smiles: | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 28883502 | Target ID | |
| Uniprot ID | Name | ||
| Model | human,mice | Fibrosis Disease | Ovarian fibrosis |
| Process I | |||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
Reference Record 2
| PubMed ID | 21274875 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro,rat | Fibrosis Disease | Liver fibrosis |
| Process I | attenue inflammation | ||
| Process II | cells proliferation | ||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
Reference Record 3
| PubMed ID | 21410058 | Target ID | |
| Uniprot ID | Name | ||
| Model | rat | Fibrosis Disease | Liver fibrosis |
| Process I | |||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
Trial Record 1
| ClinicalTrial ID | NCT02937012 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Recruiting |
| First Received | October 18, 2016 | Last Verified | April 23, 2018 |
| Sponsor | Instituto Nacional de Ciencias Medicas y Nutricion Salvador Zubiran | ||
Trial Record 2
| ClinicalTrial ID | NCT01857284 | Disease | Liver fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | May 20, 2013 | Last Verified | May 20, 2013 |
| Sponsor | Beijing Friendship Hospital | ||
| PubChem: | 439763 |
| ChEMBL: | CHEMBL408701 |