Molecule Details
| InChIKey | YUBPMDFKKWTYSQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(2-chloro-4-sulfamoylphenyl)-3-({2-[(2-chloro-4-sulfamoylphenyl)carbamoyl]ethyl}disulfanyl)propanamide |
| Canonical SMILES | NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c(Cl)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |