Molecule Details
| InChIKey | MEERXFXGAAXQOJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[4-(3-butan-2-yl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine |
| Canonical SMILES | CCC(C)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CC)C5)ncc3F)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.59 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |