Molecule Details
InChIKeyGBDGTOLMAXSIBD-UHFFFAOYSA-N
Compound Name{{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid
Canonical SMILESNS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)Nc2nnc(S(N)(=O)=O)s2)CC(=O)O)s1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.52
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 9.2 pIC50 TTD_MultiTarget
P00918 CA2 Homo sapiens Human PF00194 8.9 Ki ChEMBL;BindingDB
P00915 CA1 Homo sapiens Human PF00194 7.4 Ki ChEMBL;BindingDB