Molecule Details
| InChIKey | JBRASADWXDKCLJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-Benzoyl-4-(4-chlorophenyl)-6-oxo-2-phenyl-1-cyclohexene-1-carbonitrile |
| Canonical SMILES | N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 22 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.31 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (22)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.8 | Ki | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.6 | Ki | ChEMBL |
| P51955 | NEK2 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| Q8IU85 | CAMK1D | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.3 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.0 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Ki | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 6.0 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.0 | Ki | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.0 | Ki | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |