Molecule Details
| InChIKey | JWOPUHDTBVCEEZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-{bis[2-((carboxymethyl){[N-(5-chloro-2,4-disulfamoylphenyl)carbamoyl]methyl} amino)ethyl]amino}acetic acid |
| Canonical SMILES | NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC(=O)O)CC(=O)O)cc1Cl |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.63 |
| 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 | 8.0 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | pIC50 | TTD_MultiTarget |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |