Molecule Details
InChIKeyFVANIGOOFXRYPN-UHFFFAOYSA-N
Compound Name5-[11-[(2,4-Diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-3-yl]oxypentanoic acid
Canonical SMILESNc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCCCCC(=O)O)ccc43)cnc2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.02
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 8.0 IC50 BindingDB
O30463 folA Mycobacterium avium Pathogen PF00186 8.1 IC50 ChEMBL
P16184 Pneumocystis carinii Pathogen PF00186 8.0 IC50 ChEMBL