Molecule Details
InChIKeyXKFTZKGMDDZMJI-UHFFFAOYSA-N
Compound Name4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide
Canonical SMILESCOC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)56
Pfam Stratification Cross-Family
Avg pChEMBL7.14
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (56)
Target Gene Organism Category Pfam pChEMBL Type Source
P42685 FRK Homo sapiens Human PF07714 PF00017 PF00018 8.9 Ki ChEMBL
P07949 RET Homo sapiens Human PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 8.8 Ki ChEMBL
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 8.6 Ki ChEMBL
P12931 SRC Homo sapiens Human PF07714 PF00017 PF00018 8.3 Ki ChEMBL
O00444 PLK4 Homo sapiens Human PF00069 PF18190 PF18409 8.2 Ki ChEMBL
P08922 ROS1 Homo sapiens Human PF00041 PF07714 8.1 Ki ChEMBL
P50613 CDK7 Homo sapiens Human PF00069 8.0 Ki ChEMBL
P11362 FGFR1 Homo sapiens Human PF07679 PF00047 PF07714 7.9 Ki ChEMBL
O14965 AURKA Homo sapiens Human PF00069 7.9 IC50 ChEMBL;BindingDB
Q13131 PRKAA1 Homo sapiens Human PF16579 PF21147 PF00069 7.8 Ki ChEMBL
Q96GD4 AURKB Homo sapiens Human PF00069 7.8 Ki ChEMBL
Q9Y4K4 MAP4K5 Homo sapiens Human PF00780 PF00069 7.8 Ki ChEMBL
P07332 FES Homo sapiens Human PF00611 PF07714 PF00017 7.7 Ki ChEMBL
Q05397 PTK2 Homo sapiens Human PF21477 PF00373 PF18038 PF03623 PF07714 7.6 Ki ChEMBL
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 7.6 Ki ChEMBL
P07948 LYN Homo sapiens Human PF07714 PF00017 PF00018 7.5 Ki ChEMBL
P22607 FGFR3 Homo sapiens Human PF21165 PF07679 PF13927 PF07714 7.5 Ki ChEMBL
P29317 EPHA2 Homo sapiens Human PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 7.5 Ki ChEMBL
P29376 LTK Homo sapiens Human PF12810 PF07714 7.5 Ki ChEMBL
O15075 DCLK1 Homo sapiens Human PF03607 PF00069 7.4 Ki ChEMBL
P17948 FLT1 Homo sapiens Human PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 7.4 Ki ChEMBL
P51451 BLK Homo sapiens Human PF07714 PF00017 PF00018 7.4 Ki ChEMBL
Q9H2G2 SLK Homo sapiens Human PF00069 PF12474 7.4 Ki ChEMBL
P06241 FYN Homo sapiens Human PF07714 PF00017 PF00018 7.3 Ki ChEMBL
P27448 MARK3 Homo sapiens Human PF02149 PF00069 PF00627 7.3 Ki ChEMBL
Q9H3Y6 SRMS Homo sapiens Human PF07714 PF00017 7.3 Ki ChEMBL
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 7.2 Ki ChEMBL
Q04912 MST1R Homo sapiens Human PF07714 PF01437 PF01403 PF01833 7.2 Ki ChEMBL
Q7KZI7 MARK2 Homo sapiens Human PF02149 PF00069 PF00627 7.2 Ki ChEMBL
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 7.0 Ki ChEMBL
P53667 LIMK1 Homo sapiens Human PF00412 PF00595 PF07714 7.0 Ki ChEMBL
Q07912 TNK2 Homo sapiens Human PF09027 PF11555 PF07714 PF22931 PF14604 7.0 Ki ChEMBL
P16591 FER Homo sapiens Human PF00611 PF07714 PF00017 6.9 Ki ChEMBL
Q04771 ACVR1 Homo sapiens Human PF01064 PF07714 PF08515 6.9 Ki ChEMBL
P07333 CSF1R Homo sapiens Human PF00047 PF25305 PF07714 6.8 Ki ChEMBL
P35916 FLT4 Homo sapiens Human PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 6.8 Ki ChEMBL
O60674 JAK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.7 Ki ChEMBL
Q06187 BTK Homo sapiens Human PF00779 PF00169 PF07714 PF00017 PF00018 6.7 Ki ChEMBL
Q08881 ITK Homo sapiens Human PF00779 PF00169 PF07714 PF00017 PF00018 6.7 Ki ChEMBL
Q16288 NTRK3 Homo sapiens Human PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 6.6 Ki ChEMBL
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.4 Ki ChEMBL
Q12851 MAP4K2 Homo sapiens Human PF00780 PF00069 6.4 Ki ChEMBL
Q13188 STK3 Homo sapiens Human PF11629 PF00069 6.4 Ki ChEMBL
Q13882 PTK6 Homo sapiens Human PF07714 PF00017 PF00018 6.4 Ki ChEMBL
Q16620 NTRK2 Homo sapiens Human PF07679 PF13855 PF16920 PF01462 PF07714 6.4 Ki ChEMBL
Q8TDC3 BRSK1 Homo sapiens Human PF21122 PF00069 PF21115 6.4 Ki ChEMBL
O94806 PRKD3 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 6.3 Ki ChEMBL
P24941 CDK2 Homo sapiens Human PF00069 6.3 Ki ChEMBL
P43405 SYK Homo sapiens Human PF07714 PF00017 6.3 Ki ChEMBL
P52333 JAK3 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.3 Ki ChEMBL
Q9BXA7 TSSK1B Homo sapiens Human PF00069 6.3 Ki ChEMBL
O43293 DAPK3 Homo sapiens Human PF00069 6.1 Ki ChEMBL
P04629 NTRK1 Homo sapiens Human PF13855 PF16920 PF07714 PF18613 6.1 Ki ChEMBL
P15735 PHKG2 Homo sapiens Human PF00069 6.1 Ki ChEMBL
Q14680 MELK Homo sapiens Human PF02149 PF00069 PF21594 6.1 Ki ChEMBL
Q5S007 LRRK2 Homo sapiens Human PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 6.1 Ki ChEMBL