Molecule Details
| InChIKey | RKKIDHHGKNGTQI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[2-(3,4-Dimethoxyanilino)pyrimidin-4-yl]amino]-4-(3,3-dimethylbutan-2-ylamino)cyclobut-3-ene-1,2-dione |
| Canonical SMILES | COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 28 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (28)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 8.1 | Ki | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 7.9 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.6 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.5 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.4 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.3 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 7.1 | Ki | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | Ki | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.7 | Ki | ChEMBL |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.7 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.6 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.5 | Ki | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.2 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | Ki | ChEMBL |
| P51955 | NEK2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.2 | Ki | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.2 | Ki | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.0 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.0 | Ki | ChEMBL |