Molecule Details
| InChIKey | BEULGLCETLDRNQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(4-Nitro-cyclohexa-2,4-dienesulfinylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide |
| Canonical SMILES | NS(=O)(=O)c1nnc(N[S+]([O-])c2ccc([N+](=O)[O-])cc2)s1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.61 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 9.0 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | pIC50 | TTD_MultiTarget |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.7 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |