Molecule Details
InChIKeyHKVFBDOFZVZRHQ-UHFFFAOYSA-N
Compound Name5-[[3-fluoro-2-(fluoromethyl)-8-methoxy-2,4-dimethyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine
Canonical SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c1NC(C)(CF)C(F)=C2C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL9.57
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
B0BL08 dfrA17 Escherichia coli Pathogen PF00186 10.0 Ki BindingDB
P0ABQ4 folA Escherichia coli (strain K12) Pathogen PF00186 10.0 Ki ChEMBL
P00382 dhfrI Escherichia coli Pathogen PF00186 8.7 IC50 ChEMBL