Molecule Details
| InChIKey | BLQYVHBZHAISJM-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]- |
| Canonical SMILES | Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)n[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 54 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (54)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 8.0 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.8 | IC50 | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.6 | Ki | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.6 | Ki | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.6 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.5 | Ki | ChEMBL |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.4 | IC50 | ChEMBL;BindingDB |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.4 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.3 | IC50 | BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.2 | Ki | ChEMBL |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.2 | Ki | ChEMBL |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | Ki | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.1 | Ki | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 7.0 | Ki | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Ki | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.8 | Ki | ChEMBL |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.8 | Ki | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 6.7 | Ki | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | Ki | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.7 | Ki | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.7 | Ki | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.5 | Ki | ChEMBL |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.5 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.5 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.5 | Ki | ChEMBL |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 6.4 | Ki | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.4 | Ki | ChEMBL |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 6.4 | Ki | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.3 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.3 | Ki | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.3 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.2 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | Ki | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.0 | Ki | ChEMBL |