Molecule Details
InChIKeySZHHXYPKQHDKNL-UHFFFAOYSA-N
Compound Name3-[3-[3-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)prop-2-ynyl]-4-methoxy-phenyl]benzoic acid
Canonical SMILESCCc1nc(N)nc(N)c1C#CCc1cc(-c2cccc(C(=O)O)c2)ccc1OC
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.65
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 6.5 Ki ChEMBL;BindingDB
B0BL08 dfrA17 Escherichia coli Pathogen PF00186 8.2 Ki BindingDB
P0ABQ4 folA Escherichia coli (strain K12) Pathogen PF00186 8.2 Ki ChEMBL