Molecule Details
InChIKeyFSIRXIHZBIXHKT-MHTVFEQDSA-N
Compound NameEdatrexate
Canonical SMILESCCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.08
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P00374 DHFR Homo sapiens Human PF00186 8.5 IC50 ChEMBL;BindingDB
P00381 folA Lacticaseibacillus casei Pathogen PF00186 7.7 IC50 ChEMBL;BindingDB