Molecule Details
InChIKeyTXULAHBZZCHUNL-LBPRGKRZSA-N
Compound Name(2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfanyl)phenyl]formamido}pentanedioic acid
Canonical SMILESCCc1[nH]c2nc(N)nc(O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.57
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P04818 TYMS Homo sapiens Human PF00303 7.0 IC50 ChEMBL;BindingDB
P00374 DHFR Homo sapiens Human PF00186 6.4 pIC50 TTD_MultiTarget
C3SWJ7 thyA Escherichia coli Pathogen PF00303 6.3 IC50 ChEMBL