Molecule Details
| InChIKey | GZXJSBLSJIPTHM-QMCAAQAGSA-N |
|---|---|
| Compound Name | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]oxan-2-yl]methyl acetate |
| Canonical SMILES | CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.75 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | pIC50 | TTD_MultiTarget |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |