Molecule Details
InChIKeyFEZGMOSKDRYDFY-NSHDSACASA-N
Compound Name(2S)-2-[[4-(2,4-diamino-5-methylfuro[2,3-d]pyrimidin-6-yl)sulfanylbenzoyl]amino]pentanedioic acid
Canonical SMILESCc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)oc2nc(N)nc(N)c12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.56
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00374 DHFR Homo sapiens Human PF00186 Clinical TTD_MultiTarget TTD_MultiTarget
O30463 folA Mycobacterium avium Pathogen PF00186 8.0 IC50 ChEMBL;BindingDB
P16184 Pneumocystis carinii Pathogen PF00186 7.1 IC50 ChEMBL;BindingDB