Molecule Details
InChIKeyGGUGVSSBODWDCP-UHFFFAOYSA-N
Compound Name2-[11-[(2,4-Diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-3-yl]oxyacetic acid
Canonical SMILESNc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCC(=O)O)ccc43)cnc2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.88
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 7.8 IC50 BindingDB
O30463 folA Mycobacterium avium Pathogen PF00186 8.1 IC50 ChEMBL
Q07422 Toxoplasma gondii Pathogen PF00186 PF00303 7.8 IC50 ChEMBL