Molecule Details
InChIKeyTUJUZVJICDSNLY-UHFFFAOYSA-N
Compound NameN2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine
Canonical SMILESNCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)19
Pfam Stratification Cross-Family
Avg pChEMBL6.32
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (19)
Target Gene Organism Category Pfam pChEMBL Type Source
Q05655 PRKCD Homo sapiens Human PF00130 PF21494 PF00069 PF00433 7.3 Ki ChEMBL
P51812 RPS6KA3 Homo sapiens Human PF00069 PF00433 6.9 Ki ChEMBL
Q13188 STK3 Homo sapiens Human PF11629 PF00069 6.7 Ki ChEMBL
Q9Y4K4 MAP4K5 Homo sapiens Human PF00780 PF00069 6.6 Ki ChEMBL
Q04759 PRKCQ Homo sapiens Human PF00130 PF21494 PF00069 PF00433 6.5 IC50 ChEMBL;BindingDB
P42685 FRK Homo sapiens Human PF07714 PF00017 PF00018 6.4 Ki ChEMBL
P24941 CDK2 Homo sapiens Human PF00069 6.2 Ki ChEMBL
P49840 GSK3A Homo sapiens Human PF00069 6.2 Ki ChEMBL
P49841 GSK3B Homo sapiens Human PF00069 6.2 Ki ChEMBL
Q13131 PRKAA1 Homo sapiens Human PF16579 PF21147 PF00069 6.2 Ki ChEMBL
Q13557 CAMK2D Homo sapiens Human PF08332 PF00069 6.2 Ki ChEMBL
Q8N4C8 MINK1 Homo sapiens Human PF00780 PF00069 6.2 Ki ChEMBL
P08684 CYP3A4 Homo sapiens Human PF00067 6.2 IC50 ChEMBL;BindingDB
P49760 CLK2 Homo sapiens Human PF00069 6.1 Ki ChEMBL
P51617 IRAK1 Homo sapiens Human PF00531 PF00069 6.1 Ki ChEMBL
Q13555 CAMK2G Homo sapiens Human PF08332 PF00069 6.1 Ki ChEMBL
O95819 MAP4K4 Homo sapiens Human PF00780 PF00069 6.0 Ki ChEMBL
P06493 CDK1 Homo sapiens Human PF00069 6.0 Ki ChEMBL
P11712 CYP2C9 Homo sapiens Human PF00067 6.0 IC50 ChEMBL;BindingDB