Molecule Details
| InChIKey | QRPJDQZOXSLSEK-AREMUKBSSA-N |
|---|---|
| Compound Name | 5-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]-2-propan-2-yloxybenzonitrile |
| Canonical SMILES | CC(C)Oc1cc(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c(F)cc1C#N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 8.7 | IC50 | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.8 | IC50 | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 6.8 | IC50 | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.6 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.5 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |