Molecule Details
InChIKeyZALFVKZEAUNGIY-UHFFFAOYSA-N
Compound Name3-[[[2-Carboxyethyl(ethyl)carbamothioyl]disulfanyl]carbothioyl-ethylamino]propanoic acid
Canonical SMILESCCN(CCC(=O)O)C(=S)SSC(=S)N(CC)CCC(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.32
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00352 ALDH1A1 Homo sapiens Human PF00171 6.8 IC50 ChEMBL;BindingDB
P05091 ALDH2 Homo sapiens Human PF00171 6.1 IC50 ChEMBL;BindingDB
Q99685 MGLL Homo sapiens Human PF12146 6.1 IC50 BindingDB