Molecule Details
| InChIKey | MFAQYJIYDMLAIM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Torkinib |
| Canonical SMILES | CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 130 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.74 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (130)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00238 | BMPR1B | Homo sapiens | Human | PF01064 PF07714 PF08515 | 8.7 | Kd | ChEMBL;BindingDB |
| P37023 | ACVRL1 | Homo sapiens | Human | PF07714 PF08515 | 8.5 | Kd | ChEMBL;BindingDB |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 8.4 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 8.3 | Kd | ChEMBL;BindingDB |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 8.1 | Kd | ChEMBL;BindingDB |
| Q13705 | ACVR2B | Homo sapiens | Human | PF01064 PF00069 | 8.1 | Kd | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 8.1 | pIC50 | TTD_MultiTarget |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.1 | Kd | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.0 | Kd | ChEMBL;BindingDB |
| Q8TDC3 | BRSK1 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 7.8 | Kd | ChEMBL;BindingDB |
| O60331 | PIP5K1C | Homo sapiens | Human | PF01504 | 7.7 | Kd | ChEMBL;BindingDB |
| P27037 | ACVR2A | Homo sapiens | Human | PF01064 PF00069 | 7.7 | Kd | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.5 | Kd | ChEMBL;BindingDB |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL;BindingDB |
| Q8N122 | RPTOR | Homo sapiens | Human | PF02985 PF14538 PF00400 | 7.5 | IC50 | ChEMBL |
| Q9BVC4 | MLST8 | Homo sapiens | Human | PF00400 | 7.5 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.4 | Kd | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.4 | Kd | ChEMBL;BindingDB |
| Q8IWQ3 | BRSK2 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 7.4 | Kd | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 7.2 | Kd | ChEMBL;BindingDB |
| Q92630 | DYRK2 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 7.2 | Kd | ChEMBL;BindingDB |
| P36894 | BMPR1A | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.2 | Kd | ChEMBL;BindingDB |
| Q6R327 | RICTOR | Homo sapiens | Human | PF14663 PF14666 PF14664 PF14665 PF14668 | 7.2 | IC50 | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.2 | Kd | ChEMBL;BindingDB |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 7.1 | Kd | ChEMBL;BindingDB |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 7.1 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.1 | Kd | ChEMBL;BindingDB |
| Q9BPZ7 | MAPKAP1 | Homo sapiens | Human | PF16978 PF25322 PF05422 PF16979 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 7.1 | Kd | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.1 | Kd | ChEMBL;BindingDB |
| Q13873 | BMPR2 | Homo sapiens | Human | PF01064 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P46734 | MAP2K3 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9UIK4 | DAPK2 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P53355 | DAPK1 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00531 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P21709 | EPHA1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.0 | Kd | ChEMBL;BindingDB |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 7.0 | Kd | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.0 | Kd | BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.9 | Kd | ChEMBL;BindingDB |
| P21860 | ERBB3 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 | 6.9 | Kd | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.9 | Kd | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q9H422 | HIPK3 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q09013 | DMPK | Homo sapiens | Human | PF08826 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| O75747 | PIK3C2G | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 6.8 | Kd | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Kd | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Kd | ChEMBL;BindingDB |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.8 | Kd | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | Kd | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.7 | Kd | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | Kd | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | Kd | ChEMBL;BindingDB |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.7 | Kd | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9UF33 | EPHA6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.7 | Kd | ChEMBL;BindingDB |
| O00750 | PIK3C2B | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 6.7 | Kd | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | Kd | ChEMBL;BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 6.7 | Kd | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.6 | Kd | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.6 | Kd | ChEMBL;BindingDB |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P29322 | EPHA8 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.6 | Kd | ChEMBL;BindingDB |
| P37173 | TGFBR2 | Homo sapiens | Human | PF08917 PF07714 | 6.6 | Kd | ChEMBL;BindingDB |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.5 | Kd | ChEMBL;BindingDB |
| P57078 | RIPK4 | Homo sapiens | Human | PF12796 PF13637 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.5 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.5 | Kd | ChEMBL;BindingDB |
| Q15569 | TESK1 | Homo sapiens | Human | PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| Q86Z02 | HIPK1 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.5 | Kd | ChEMBL;BindingDB |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P57059 | SIK1 | Homo sapiens | Human | PF00069 PF23312 | 6.5 | Kd | ChEMBL;BindingDB |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL;BindingDB |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q32MK0 | MYLK3 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P29320 | EPHA3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9UL54 | TAOK2 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.4 | pIC50 | TTD_MultiTarget |
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 6.4 | IC50 | ChEMBL |
| Q9UBE8 | NLK | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9H2K8 | TAOK3 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q8TDR2 | STK35 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q6XUX3 | DSTYK | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9P286 | PAK5 | Homo sapiens | Human | PF00786 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL;BindingDB |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.2 | Kd | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9UK32 | RPS6KA6 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | Kd | ChEMBL;BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q99759 | MAP3K3 | Homo sapiens | Human | PF00564 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 6.2 | Kd | ChEMBL;BindingDB |
| Q8WU08 | STK32A | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8TBX8 | PIP4K2C | Homo sapiens | Human | PF01504 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | Kd | ChEMBL;BindingDB |
| P45985 | MAP2K4 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9C098 | DCLK3 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8NEV4 | MYO3A | Homo sapiens | Human | PF00612 PF00063 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.1 | Kd | ChEMBL;BindingDB |
| Q59H18 | TNNI3K | Homo sapiens | Human | PF12796 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9Y2U5 | MAP3K2 | Homo sapiens | Human | PF00564 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q15835 | GRK1 | Homo sapiens | Human | PF00069 PF00615 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9UBF8 | PI4KB | Homo sapiens | Human | PF00454 PF21245 | 6.0 | Kd | ChEMBL;BindingDB |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 6.0 | Kd | ChEMBL;BindingDB |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| P62343 | CDPK1 | Plasmodium falciparum (isolate K1 / Thailand) | Pathogen | PF13499 PF00069 | 6.3 | Kd | BindingDB |