Molecule Details
InChIKeyKQGRJTMRAQWNLV-UHFFFAOYSA-N
Compound Name4-[3-[3-[2,4-Bis(Azanyl)-6-Ethyl-Pyrimidin-5-Yl]prop-2-Ynyl]-4-Methoxy-Phenyl]benzoic Acid
Canonical SMILESCCc1nc(N)nc(N)c1C#CCc1cc(-c2ccc(C(=O)O)cc2)ccc1OC
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.13
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 6.4 IC50 ChEMBL;BindingDB
B0BL08 dfrA17 Escherichia coli Pathogen PF00186 9.0 Ki BindingDB
P0ABQ4 folA Escherichia coli (strain K12) Pathogen PF00186 9.0 Ki ChEMBL