Molecule Details
| InChIKey | XDIRTAKGXGZVFW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[5-Cyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenesulfonamide |
| Canonical SMILES | COc1ccc(C(=O)CSc2nc(Nc3cccc(S(N)(=O)=O)c3)c(C#N)c(-c3ccc(C)cc3)n2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.53 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.6 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL;BindingDB |