Molecule Details
| InChIKey | GPDJEOLNUXCUQS-WRQOLXDDSA-N |
|---|---|
| Compound Name | (2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-((1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl)methoxy)tetrahydro-2H-pyran-3-yl acetate |
| Canonical SMILES | CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)O[C@@H]1CO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.82 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | pIC50 | TTD_MultiTarget |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |