Molecule Details
InChIKeyQONPPIZSNSSCSK-UHFFFAOYSA-N
Compound Name1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Canonical SMILESNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)45
Pfam Stratification Cross-Family
Avg pChEMBL7.14
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (45)
Target Gene Organism Category Pfam pChEMBL Type Source
P17948 FLT1 Homo sapiens Human PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 9.2 Ki ChEMBL
P36888 FLT3 Homo sapiens Human PF00047 PF07714 8.7 IC50 ChEMBL;BindingDB
Q02161 RHD Homo sapiens Human PF00909 8.6 pIC50 TTD_MultiTarget
P04629 NTRK1 Homo sapiens Human PF13855 PF16920 PF07714 PF18613 8.5 Ki ChEMBL
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 8.4 IC50 ChEMBL;BindingDB
Q16620 NTRK2 Homo sapiens Human PF07679 PF13855 PF16920 PF01462 PF07714 8.4 Ki ChEMBL
Q96GD4 AURKB Homo sapiens Human PF00069 8.4 Ki ChEMBL
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 8.4 Ki ChEMBL
Q8NE63 HIPK4 Homo sapiens Human PF00069 8.3 Ki ChEMBL
P35916 FLT4 Homo sapiens Human PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 8.2 Ki ChEMBL
P30530 AXL Homo sapiens Human PF00041 PF13927 PF07714 8.1 Ki ChEMBL
P10721 KIT Homo sapiens Human PF00047 PF07714 8.0 IC50 ChEMBL;BindingDB
Q14289 PTK2B Homo sapiens Human PF21477 PF00373 PF18038 PF03623 PF07714 7.7 Ki ChEMBL
O14965 AURKA Homo sapiens Human PF00069 7.6 Ki ChEMBL
Q9HBH9 MKNK2 Homo sapiens Human PF00069 7.6 Ki ChEMBL
Q9Y4K4 MAP4K5 Homo sapiens Human PF00780 PF00069 7.5 Ki ChEMBL
P29317 EPHA2 Homo sapiens Human PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 7.2 Ki ChEMBL
O15264 MAPK13 Homo sapiens Human PF00069 7.0 Ki ChEMBL
Q14680 MELK Homo sapiens Human PF02149 PF00069 PF21594 7.0 Ki ChEMBL
O00444 PLK4 Homo sapiens Human PF00069 PF18190 PF18409 6.9 Ki ChEMBL
O95819 MAP4K4 Homo sapiens Human PF00780 PF00069 6.9 Ki ChEMBL
P51617 IRAK1 Homo sapiens Human PF00531 PF00069 6.9 Ki ChEMBL
Q9H2G2 SLK Homo sapiens Human PF00069 PF12474 6.8 Ki ChEMBL
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 6.7 Ki ChEMBL
P51451 BLK Homo sapiens Human PF07714 PF00017 PF00018 6.7 Ki ChEMBL
Q05397 PTK2 Homo sapiens Human PF21477 PF00373 PF18038 PF03623 PF07714 6.7 Ki ChEMBL
Q12851 MAP4K2 Homo sapiens Human PF00780 PF00069 6.7 Ki ChEMBL
Q9HAZ1 CLK4 Homo sapiens Human PF00069 6.7 Ki ChEMBL
O96017 CHEK2 Homo sapiens Human PF00498 PF00069 6.6 Ki ChEMBL
P08581 MET Homo sapiens Human PF07714 PF01437 PF01403 PF01833 6.6 Ki ChEMBL
P08922 ROS1 Homo sapiens Human PF00041 PF07714 6.6 Ki ChEMBL
O75116 ROCK2 Homo sapiens Human PF25346 PF00069 PF08912 6.5 Ki ChEMBL
Q13188 STK3 Homo sapiens Human PF11629 PF00069 6.5 Ki ChEMBL
Q8N4C8 MINK1 Homo sapiens Human PF00780 PF00069 6.5 Ki ChEMBL
Q13464 ROCK1 Homo sapiens Human PF25346 PF00069 PF08912 6.4 Ki ChEMBL
Q9H2X6 HIPK2 Homo sapiens Human PF00069 6.4 Ki ChEMBL
O43781 DYRK3 Homo sapiens Human PF00069 6.3 Ki ChEMBL
O60674 JAK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.3 Ki ChEMBL
P49760 CLK2 Homo sapiens Human PF00069 6.3 Ki ChEMBL
P07333 CSF1R Homo sapiens Human PF00047 PF25305 PF07714 6.2 Ki ChEMBL
O43293 DAPK3 Homo sapiens Human PF00069 6.1 Ki ChEMBL
P52333 JAK3 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.1 Ki ChEMBL
P07948 LYN Homo sapiens Human PF07714 PF00017 PF00018 6.0 Ki ChEMBL
P42685 FRK Homo sapiens Human PF07714 PF00017 PF00018 6.0 Ki ChEMBL
P53778 MAPK12 Homo sapiens Human PF00069 6.0 Ki ChEMBL