Molecule Details
| InChIKey | OJRJASQFNLOAKZ-LJQANCHMSA-N |
|---|---|
| Compound Name | (S)-N-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-2-(tetrahydro-2H-pyran-4-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxamide |
| Canonical SMILES | O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)N1CCc2cnc(NC3CCOCC3)nc2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.4 | Kd | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.8 | Ki | ChEMBL |
| P27361 | MAPK3 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |