Molecule Details
| InChIKey | CVAPWQUGPIGKOD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-chloro-3,5-dimethyl-4-sulfamoylanilino)-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butanoic acid |
| Canonical SMILES | Cc1cc(NCC(CC(=O)O)c2n[nH]c(=S)n2-c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 9.8 | Kd | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 9.8 | Kd | ChEMBL;BindingDB |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 9.7 | Kd | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 9.3 | Kd | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 9.3 | Kd | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 9.1 | Kd | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.9 | Kd | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 8.2 | Kd | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 8.2 | Kd | ChEMBL;BindingDB |