Molecule Details
| InChIKey | AAOLDQJTTACKSD-UHFFFAOYSA-N |
|---|---|
| Compound Name | [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3,4-trifluoro-6-methoxyphenyl)methanone |
| Canonical SMILES | COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.8 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.0 | Ki | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 9.0 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.7 | pIC50 | TTD_MultiTarget |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.5 | pIC50 | TTD_MultiTarget |