Molecule Details
InChIKeyZWUMGQPKPLFJSY-SNAWJCMRSA-N
Compound Name5-(3,4-Dimethoxy-5-propenyl-benzyl)-pyrimidine-2,4-diamine
Canonical SMILESC/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.31
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00374 DHFR Homo sapiens Human PF00186 7.0 IC50 ChEMBL
B0BL08 dfrA17 Escherichia coli Pathogen PF00186 9.1 Ki BindingDB
P0A017 folA Staphylococcus aureus Pathogen PF00186 8.8 Ki ChEMBL;BindingDB