Molecule Details
| InChIKey | PXFUWAWMHRRZOE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxamide |
| Canonical SMILES | CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccccc2)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.0 | IC50 | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.0 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL |