Molecule Details
| InChIKey | PXYOTVGJZCZUIH-JGIHKXRXSA-N |
|---|---|
| Compound Name | [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-[(2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-6-[4-(4-sulfamoylphenyl)triazol-1-yl]oxan-3-yl] acetate |
| Canonical SMILES | CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)O[C@H](COP2(=O)OCc3ccccc3O2)[C@H]1OC(C)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.4 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |