| CAS ID: | 123683-33-0 |
| Molecular Formula: | C33H39N9O12S2 |
| Molecular Weight: | 817.9 g/mol |
| Monoisotopic Mass: | 817.216 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C23H27N5O7S.C10H12N4O5S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);2-3,7-8H,4-5H2,1H3,(H,16,17)/t13-,14-,15+,20-;7-,8+,10+/m11/s1 | See All |
| InChI Key: | LITBAYYWXZOHAW-XDZRHBBOSA-N | |
| Smiles: | CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O.C[C@]5(Cn6ccnn6)[C@@H](N7[C@@H](CC7=O)S5(=O)=O)C(=O)O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 23869050 | Target ID | |
| Uniprot ID | Name | ||
| Model | human | Fibrosis Disease | Cystic fibrosis |
| Process I | |||
| Process II | |||
| Process III | |||
| Mechanism | |||
Reference Record 2
| PubMed ID | 27132188 | Target ID | |
| Uniprot ID | Name | ||
| Model | Fibrosis Disease | Cystic fibrosis | |
| Process I | |||
| Process II | |||
| Process III | |||
| Mechanism | |||
| PubChem: | 9918881 |
| ChEMBL: | CHEMBL436129 |