Molecule Details
| InChIKey | JQLOWVFMFQYNIP-LFYNBYACSA-N |
|---|---|
| Compound Name | (2S,3R)-3-[5-bromo-2-[3-methoxy-4-(methylsulfonimidoyl)anilino]pyrimidin-4-yl]oxybutan-2-ol |
| Canonical SMILES | COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | IC50 | ChEMBL;BindingDB |