Molecule Details
InChIKeyNVRXTLZYXZNATH-UHFFFAOYSA-N
Compound NamePP121
Canonical SMILESNc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)47
Pfam Stratification Cross-Family
Avg pChEMBL6.88
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08052
Drug NamePP-121
CAS Number1092788-83-4
Groups experimental
ATC Codes nan
Descriptionnan
Cross-references: BindingDB: 50313645 ChEBI: 50915 CHEMBL1081312 ChemSpider: 21865813 PDB: KS1 PubChem:24905142 PubChem:99444523 ZINC: ZINC000020148984
Target Activities (47)
Target Gene Organism Category Pfam pChEMBL Type Source
P07949 RET Homo sapiens Human PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 8.9 Ki ChEMBL
P08631 HCK Homo sapiens Human PF07714 PF00017 PF00018 8.1 IC50 ChEMBL
P42345 MTOR Homo sapiens Human PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 8.0 pIC50 TTD_MultiTarget
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 7.9 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.9 pIC50 TTD_MultiTarget
P12931 SRC Homo sapiens Human PF07714 PF00017 PF00018 7.8 IC50 ChEMBL;BindingDB
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 7.8 IC50 ChEMBL;BindingDB
P11274 BCR Homo sapiens Human PF09036 PF00168 PF19057 PF00620 PF00621 7.8 IC50 ChEMBL
O75116 ROCK2 Homo sapiens Human PF25346 PF00069 PF08912 7.4 Ki ChEMBL
P48729 CSNK1A1 Homo sapiens Human PF00069 7.4 Ki ChEMBL
P42336 PIK3CA Homo sapiens Human PF00454 PF00792 PF02192 PF00794 PF00613 7.3 IC50 ChEMBL;BindingDB
P78527 PRKDC Homo sapiens Human PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 7.2 IC50 ChEMBL
Q9UBF8 PI4KB Homo sapiens Human PF00454 PF21245 7.2 IC50 ChEMBL
P17948 FLT1 Homo sapiens Human PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 7.2 Ki ChEMBL
Q04771 ACVR1 Homo sapiens Human PF01064 PF07714 PF08515 7.2 Ki ChEMBL
Q5S007 LRRK2 Homo sapiens Human PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 7.2 Ki ChEMBL
P06241 FYN Homo sapiens Human PF07714 PF00017 PF00018 7.1 Ki ChEMBL
Q8N122 RPTOR Homo sapiens Human PF02985 PF14538 PF00400 7.1 IC50 ChEMBL
Q9BVC4 MLST8 Homo sapiens Human PF00400 7.1 IC50 ChEMBL
P11362 FGFR1 Homo sapiens Human PF07679 PF00047 PF07714 7.0 Ki ChEMBL
Q04912 MST1R Homo sapiens Human PF07714 PF01437 PF01403 PF01833 6.9 Ki ChEMBL
O00329 PIK3CD Homo sapiens Human PF00454 PF00792 PF02192 PF00794 PF00613 6.8 IC50 ChEMBL
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 6.8 Ki ChEMBL
P29376 LTK Homo sapiens Human PF12810 PF07714 6.8 Ki ChEMBL
P53667 LIMK1 Homo sapiens Human PF00412 PF00595 PF07714 6.8 Ki ChEMBL
P54760 EPHB4 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 6.7 IC50 ChEMBL
Q13464 ROCK1 Homo sapiens Human PF25346 PF00069 PF08912 6.7 Ki ChEMBL
O94806 PRKD3 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 6.6 Ki ChEMBL
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.6 IC50 ChEMBL
P16234 PDGFRA Homo sapiens Human PF07679 PF25305 PF07714 6.5 Ki ChEMBL
Q12851 MAP4K2 Homo sapiens Human PF00780 PF00069 6.5 Ki ChEMBL
P07333 CSF1R Homo sapiens Human PF00047 PF25305 PF07714 6.4 Ki ChEMBL
P08069 IGF1R Homo sapiens Human PF00757 PF07714 PF01030 6.4 Ki ChEMBL
P09619 PDGFRB Homo sapiens Human PF00047 PF13927 PF25305 PF07714 6.4 Ki ChEMBL
Q02750 MAP2K1 Homo sapiens Human PF00069 6.4 Ki ChEMBL
Q07912 TNK2 Homo sapiens Human PF09027 PF11555 PF07714 PF22931 PF14604 6.4 Ki ChEMBL
Q04759 PRKCQ Homo sapiens Human PF00130 PF21494 PF00069 PF00433 6.3 Ki ChEMBL
O95819 MAP4K4 Homo sapiens Human PF00780 PF00069 6.2 Ki ChEMBL
O96013 PAK4 Homo sapiens Human PF00786 PF00069 6.2 Ki ChEMBL
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 6.2 Ki ChEMBL
P17612 PRKACA Homo sapiens Human PF00069 6.1 Ki ChEMBL
P27448 MARK3 Homo sapiens Human PF02149 PF00069 PF00627 6.1 Ki ChEMBL
Q06418 TYRO3 Homo sapiens Human PF00041 PF07679 PF07714 6.1 Ki ChEMBL
Q9HAZ1 CLK4 Homo sapiens Human PF00069 6.1 Ki ChEMBL
O60674 JAK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.0 Ki ChEMBL
P36507 MAP2K2 Homo sapiens Human PF00069 6.0 Ki ChEMBL
P49760 CLK2 Homo sapiens Human PF00069 6.0 Ki ChEMBL
DrugBank Target Actions (10)
Target Gene Target Name Action Type
P00519 ABL1 Tyrosine-protein kinase ABL1 inhibitor targets
P00533 EGFR Epidermal growth factor receptor inhibitor targets
P08631 HCK Tyrosine-protein kinase HCK inhibitor targets
P12931 SRC Proto-oncogene tyrosine-protein kinase Src inhibitor targets
P16234 PDGFRA Platelet-derived growth factor receptor alpha inhibitor targets
P35968 KDR Vascular endothelial growth factor receptor 2 inhibitor targets
P42338 PIK3CB Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform inhibitor targets
P42345 MTOR Serine/threonine-protein kinase mTOR inhibitor targets
P48736 PIK3CG Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform inhibitor targets
P78527 PRKDC DNA-dependent protein kinase catalytic subunit inhibitor targets