Molecule Details
| InChIKey | OLVBAUVSICCWEJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[(3-fluorophenyl)methyl]-9-(4-hydroxy-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide |
| Canonical SMILES | COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 39 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.5 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (39)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 7.5 | Ki | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Ki | ChEMBL |
| Q96RG2 | PASK | Homo sapiens | Human | PF13426 PF00069 | 6.9 | Ki | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.7 | Ki | ChEMBL |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.7 | Ki | ChEMBL |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 6.7 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.6 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 6.5 | Ki | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.5 | Ki | ChEMBL |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.4 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.4 | Ki | ChEMBL |
| Q8IW41 | MAPKAPK5 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.3 | Ki | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.3 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.2 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.2 | Ki | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.1 | Ki | ChEMBL |
| Q96KB5 | PBK | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q96PF2 | TSSK2 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 6.1 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.0 | Ki | ChEMBL |
| Q8TDC3 | BRSK1 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 6.0 | Ki | ChEMBL |