Molecule Details
| InChIKey | XUFLBSMTYMFOQH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-N-[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine |
| Canonical SMILES | CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 43 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (43)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00311 | CDC7 | Homo sapiens | Human | PF00069 | 9.5 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.9 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.6 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 8.6 | Ki | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 8.5 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.3 | Ki | ChEMBL |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 8.1 | Ki | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 8.0 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.8 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.8 | Ki | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 7.5 | Ki | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 7.4 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 7.4 | Ki | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.4 | Ki | ChEMBL |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 7.3 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 7.2 | Ki | ChEMBL |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.1 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.1 | Ki | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 7.1 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Ki | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.5 | Ki | ChEMBL |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 6.4 | Ki | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.3 | Ki | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.3 | Ki | ChEMBL |
| P34947 | GRK5 | Homo sapiens | Human | PF00069 PF00615 | 6.2 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.0 | Ki | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |