Molecule Details
| InChIKey | UJBJWYNPUOLFIZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-Propyl-4-({4-[(2,2,2-trifluoroethyl)amino]-1H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzamide |
| Canonical SMILES | CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 49 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (49)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 9.1 | Ki | ChEMBL |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | IC50 | ChEMBL;BindingDB |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.0 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.9 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| P26927 | MST1 | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.6 | IC50 | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 6.5 | Ki | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.4 | IC50 | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 6.4 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.4 | IC50 | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | Ki | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.3 | Ki | ChEMBL |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 6.3 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.3 | Ki | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q9UL54 | TAOK2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.2 | IC50 | ChEMBL;BindingDB |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | IC50 | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.1 | Ki | ChEMBL |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.1 | Ki | ChEMBL |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.0 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.0 | Ki | ChEMBL |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.0 | Ki | ChEMBL |