| CAS ID: | 510774-50-2 |
| Molecular Formula: | C17H16ClN5NaO6PS |
| Molecular Weight: | 485.9 g/mol |
| Monoisotopic Mass: | 485.0326 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C17H17ClN5O6PS.Na/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9;/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21);/q;+1/p-1/t10-,12-,13-,16-;/m1./s1 | See All |
| InChI Key: | VHTMKTNUXDACHB-KHXPSBENSA-M | |
| Smiles: | [Na+].CO[C@@H]1[C@@H]2OP(=O)([O-])OC[C@H]2O[C@H]1n3c(Sc4ccc(Cl)cc4)nc5c(N)ncnc35 | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 28616713 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Fibrosis |
| Process I | |||
| Process II | EMT | ||
| Process III | |||
| Mechanism | |||
| PubChem: | 16759604 |
| ChEMBL: | CHEMBL1512913 |