Molecule Details
| InChIKey | YEBUIVWYFDFDGC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-{4-[2-(4-Methylhexahydro-1-pyrazinyl)ethylamino(thioxo)methylamino]phenylsulfonamido}-1-benzenesulfonamide |
| Canonical SMILES | CN1CCN(CC/N=C(\S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 8.3 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |