Molecule Details
| InChIKey | WUXVVCVUHCWYDL-UHFFFAOYSA-N |
|---|---|
| Compound Name | {{2-[Carboxymethyl-(2-{carboxymethyl-[(3-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(3-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid |
| Canonical SMILES | NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC(=O)O)CC(=O)O)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |