Molecule Details
| InChIKey | SVFNENPBKANKCW-VQHOHFBQSA-N |
|---|---|
| Compound Name | [(2R,3R,4S,5R,6R)-3,4,5-tris(3-methylbutanoyloxy)-6-[4-(3-sulfamoylphenyl)triazol-1-yl]oxan-2-yl]methyl 3-methylbutanoate |
| Canonical SMILES | CC(C)CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |