Molecule Details
InChIKeySPUWUOGLPPVXCW-UHFFFAOYSA-N
Compound NameCpCDPK1/TgCDPK1-IN-3
Canonical SMILESCC(C)n1nc(-c2ccc3c(ccn3C)c2)c2c(N)ncnc21
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)15
Pfam Stratification Cross-Family
Avg pChEMBL6.83
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (15)
Target Gene Organism Category Pfam pChEMBL Type Source
O00329 PIK3CD Homo sapiens Human PF00454 PF00792 PF02192 PF00794 PF00613 7.4 IC50 ChEMBL
P08631 HCK Homo sapiens Human PF07714 PF00017 PF00018 6.8 IC50 ChEMBL
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 6.6 IC50 ChEMBL;BindingDB
P12931 SRC Homo sapiens Human PF07714 PF00017 PF00018 6.5 IC50 ChEMBL;BindingDB
P78527 PRKDC Homo sapiens Human PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 6.5 IC50 ChEMBL
P42345 MTOR Homo sapiens Human PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 6.3 pIC50 TTD_MultiTarget
P48736 PIK3CG Homo sapiens Human PF00454 PF00792 PF00794 PF00613 PF19710 6.2 IC50 ChEMBL
P42336 PIK3CA Homo sapiens Human PF00454 PF00792 PF02192 PF00794 PF00613 6.2 IC50 ChEMBL
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.2 pIC50 TTD_MultiTarget
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 6.2 IC50 ChEMBL
P42338 PIK3CB Homo sapiens Human PF00454 PF00792 PF02192 PF00794 PF00613 6.1 IC50 ChEMBL
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.0 IC50 ChEMBL
A3FQ16 Cryptosporidium parvum (strain Iowa II) Pathogen PF13499 PF00069 8.5 IC50 BindingDB
Q6S4W0 CDPK1 Cryptosporidium parvum Pathogen PF13499 PF00069 8.5 IC50 BindingDB
Q8MMZ7 PKG Toxoplasma gondii Pathogen PF00027 PF00069 8.4 IC50 BindingDB