Molecule Details
| InChIKey | KWPJXRHMANTYFB-CXQPBAHBSA-N |
|---|---|
| Compound Name | [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-sulfamoylphenyl)sulfanyloxan-2-yl]methyl acetate |
| Canonical SMILES | CC(=O)OC[C@H]1O[C@@H](Sc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.59 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 9.7 | Ki | ChEMBL |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.3 | Ki | ChEMBL |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL |