Molecule Details
| InChIKey | WHEKFQIZJBDQNG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[2-[(1,4-dioxido-7,8-dihydro-6H-cyclopenta[g][1,2,4]benzotriazine-1,4-diium-3-yl)amino]ethyl]benzenesulfonamide |
| Canonical SMILES | NS(=O)(=O)c1ccc(CCNc2n[n+]([O-])c3cc4c(cc3[n+]2[O-])CCC4)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.79 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |