Molecule Details
| InChIKey | GQHMZZXJWGPHDA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(Pyridin-4-ylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione |
| Canonical SMILES | O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.49 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 7.5 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 7.3 | Ki | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 7.1 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.0 | Ki | ChEMBL |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.4 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.3 | Ki | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.3 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q9Y6M4 | CSNK1G3 | Homo sapiens | Human | PF12605 PF00069 | 6.3 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.2 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 6.1 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.0 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.0 | Ki | ChEMBL |