| CAS ID: | 87638-04-8 |
| Molecular Formula: | C12H14N6O10S2 |
| Molecular Weight: | 466.4 g/mol |
| Monoisotopic Mass: | 466.0213 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | AMA 1080(2NA) | CARUMONAM | CARUMONAM SODIUM | RO 17-2301/006 |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1 | See All |
| InChI Key: | UIMOJFJSJSIGLV-JNHMLNOCSA-N | |
| Smiles: | NC(=O)OC[C@@H]1[C@H](NC(=O)\C(=N/OCC(=O)O)\c2csc(N)n2)C(=O)N1S(=O)(=O)O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 19748423 | Target ID | |
| Uniprot ID | Name | ||
| Model | human | Fibrosis Disease | Cystic fibrosis |
| Process I | |||
| Process II | |||
| Process III | |||
| Mechanism | |||
| PubChem: | 6540466 |
| ChEMBL: | CHEMBL1614658 |