Molecule Details
| InChIKey | KDBRIXOWSMBZML-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[2-(6-Methyl-2,2,4-trioxooxathiazin-3-yl)acetyl]benzonitrile |
| Canonical SMILES | CC1=CC(=O)N(CC(=O)c2ccc(C#N)cc2)S(=O)(=O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.4 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.6 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |