| CAS ID: | 75747-14-7 |
| Molecular Formula: | C31H43N3O8 |
| Molecular Weight: | 585.7 g/mol |
| Monoisotopic Mass: | 585.305 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | tanespimycin | BMS-722782 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | See All |
| InChI Key: | AYUNIORJHRXIBJ-TXHRRWQRSA-N | |
| Smiles: | CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 28239659 | Target ID | T0933 |
| Uniprot ID | Heat shock protein HSP 90-beta | Name | Heat shock protein HSP 90-beta |
| Model | vitro,human,mice | Fibrosis Disease | Idiopathic pulmonary fibrosis |
| Process I | |||
| Process II | fibroblasts proliferation,fibroblast to myofibroblast | ||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
| PubChem: | 6505803 |
| ChEMBL: | CHEMBL109480 |