Molecule Details
| InChIKey | MRKBPPGUJITWCF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[2-[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzenesulfonamide |
| Canonical SMILES | Cc1ccc(-c2nc(SCC(=O)c3ccc(Br)cc3)nc(Nc3cccc(S(N)(=O)=O)c3)c2C#N)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |