Molecule Details
| InChIKey | XMMSPSBDKCHHAF-FOCZCJQRSA-N |
|---|---|
| Compound Name | N-[[4-[[5-bromo-4-[(2R,3S)-3-hydroxybutan-2-yl]oxypyrimidin-2-yl]amino]phenyl]-(2-hydroxyethyl)-oxo-lambda6-sulfanylidene]-2-trimethylsilylethanesulfonamide |
| Canonical SMILES | C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=O)(CCO)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.1 | IC50 | ChEMBL;BindingDB |