Molecule Details
InChIKeyWKIIITBMPWEWKZ-LBPRGKRZSA-N
Compound Name(2S)-2-[6-[[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)acetyl]amino]hexanoylamino]pentanedioic acid
Canonical SMILESNc1nc2[nH]c(CC(=O)NCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL9.85
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P04818 TYMS Homo sapiens Human PF00303 9.8 IC50 ChEMBL;BindingDB
P22102 GART Homo sapiens Human PF00586 PF02769 PF00551 PF01071 PF02843 PF02844 9.8 IC50 ChEMBL
P31939 ATIC Homo sapiens Human PF01808 PF02142 9.8 IC50 ChEMBL