Molecule Details
| InChIKey | PGGLRAWFUJMQBN-HXUWFJFHSA-N |
|---|---|
| Compound Name | 1-[(1s)-1-(4-Chloro-3-Fluorophenyl)-2-Hydroxyethyl]-4-[2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrimidin-4-Yl]pyridin-2(1h)-One |
| Canonical SMILES | O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| P27361 | MAPK3 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.7 | Kd | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.7 | Kd | ChEMBL |