Molecule Details
| InChIKey | CXDXSBLYPKFPLO-WSQDCVBFSA-N |
|---|---|
| Compound Name | (2S,3S)-3-[[5-bromo-2-[4-(methylsulfonimidoyl)anilino]pyrimidin-4-yl]amino]-4-methoxybutan-2-ol |
| Canonical SMILES | COC[C@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)[C@H](C)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.44 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | IC50 | ChEMBL;BindingDB |