Molecule Details
| InChIKey | NRSGWEVTVGZDFC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine |
| Canonical SMILES | Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 50 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (50)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.5 | Ki | ChEMBL |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 7.4 | Ki | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 7.1 | Ki | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 7.1 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| O00311 | CDC7 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.7 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 6.7 | Ki | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.6 | IC50 | ChEMBL |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.6 | Ki | ChEMBL |
| Q9HBY8 | SGK2 | Homo sapiens | Human | PF00069 PF00433 | 6.6 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.5 | IC50 | ChEMBL |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.5 | Ki | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.5 | Ki | ChEMBL |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 6.5 | Ki | ChEMBL |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 6.5 | Ki | ChEMBL |
| P07332 | FES | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.4 | Ki | ChEMBL |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 6.4 | Ki | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.4 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.4 | Ki | ChEMBL |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 6.3 | Ki | ChEMBL |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 6.3 | Ki | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.3 | Ki | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.2 | IC50 | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.0 | IC50 | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.0 | IC50 | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.0 | IC50 | ChEMBL |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.0 | IC50 | ChEMBL |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.0 | IC50 | ChEMBL |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.0 | IC50 | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.0 | Ki | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.0 | IC50 | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.0 | IC50 | ChEMBL |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.0 | IC50 | ChEMBL |