Molecule Details
InChIKeyFICRNCFTTZHHPO-HNNXBMFYSA-N
Compound Namen-[4-[2-(2-Amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid
Canonical SMILESCc1nc(N)nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.08
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 7.6 pIC50 TTD_MultiTarget
P04818 TYMS Homo sapiens Human PF00303 6.0 IC50 ChEMBL;BindingDB
P00381 folA Lacticaseibacillus casei Pathogen PF00186 7.6 IC50 ChEMBL;BindingDB