Molecule Details
| InChIKey | JAMDNXUAYUHJLJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxylic acid |
| Canonical SMILES | COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 40 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (40)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 8.7 | IC50 | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 8.6 | Ki | ChEMBL |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 7.9 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.6 | Ki | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 7.5 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 7.4 | Ki | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.3 | Ki | ChEMBL |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | Ki | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.1 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.0 | Ki | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.9 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | Ki | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | Ki | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.7 | Ki | ChEMBL |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.6 | Ki | ChEMBL |
| Q8TDC3 | BRSK1 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 6.6 | Ki | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Ki | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.4 | Ki | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.4 | Ki | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.3 | Ki | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.3 | Ki | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.2 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P51955 | NEK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.2 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.1 | Ki | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.1 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.1 | Ki | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.1 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.0 | Ki | ChEMBL |
| P51957 | NEK4 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.0 | Ki | ChEMBL |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |