| CAS ID: | 689293-68-3 |
| Molecular Formula: | C23H30N12O8S2 |
| Molecular Weight: | 666.7 g/mol |
| Monoisotopic Mass: | 666.1751 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | CXA-101 | CEFTOLOZANE | CEFTOLOZANE SULFATE | FR264205 | FR-264205 | CXA-101 (FOR SULFATE) |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1 | See All |
| InChI Key: | JHFNIHVVXRKLEF-DCZLAGFPSA-N | |
| Smiles: | Cn1c(N)c(NC(=O)NCCN)c[n+]1CC2=C(N3[C@H](SC2)[C@H](NC(=O)\C(=N/OC(C)(C)C(=O)[O-])\c4nsc(N)n4)C3=O)C(=O)O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 27550351 | Target ID | |
| Uniprot ID | Name | ||
| Model | human | Fibrosis Disease | Cystic fibrosis |
| Process I | |||
| Process II | |||
| Process III | |||
| Mechanism | |||
Trial Record 1
| ClinicalTrial ID | NCT02421120 | Disease | Cystic fibrosis |
| Phase | Phase 4 | Status | Completed |
| First Received | April 20, 2015 | Last Verified | March 19, 2018 |
| Sponsor | Joseph Kuti | ||
| PubChem: | 71457955 |
| ChEMBL: | CHEMBL2103872 |