Molecule Details
| InChIKey | GEPXKKLRMYWXND-ICUGJSFKSA-N |
|---|---|
| Compound Name | [(2R,3S,4S,5R,6S)-4,5-diacetyloxy-2-(hydroxymethyl)-6-(4-sulfamoylphenyl)sulfanyloxan-3-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](CO)O[C@@H](Sc2ccc(S(N)(=O)=O)cc2)[C@@H]1OC(C)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.44 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 9.1 | Ki | ChEMBL |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.6 | Ki | ChEMBL |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL |