Molecule Details
InChIKeyYVHACGQTVJQBQW-UHFFFAOYSA-M
Compound Name4-(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyrylamino]-4-carboxy-butyrylamino}-4-carboxy-butyrylamino)-4-carboxy-butyric acid anion
Canonical SMILESC#CN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)[O-])C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.54
SourceBindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P04818 TYMS Homo sapiens Human PF00303 8.2 IC50 BindingDB
P00374 DHFR Homo sapiens Human PF00186 6.5 IC50 BindingDB
P00469 thyA Lacticaseibacillus casei Pathogen PF00303 7.9 IC50 BindingDB