Molecule Details
InChIKeySGIZOAVXYNPFQX-UHFFFAOYSA-N
Compound Name{{2-[Carboxymethyl-(2-{carboxymethyl-[(2-iodo-4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(2-iodo-4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
Canonical SMILESNS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2I)CC(=O)O)CC(=O)O)c(I)c1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.72
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P00918 CA2 Homo sapiens Human PF00194 8.1 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.1 pIC50 TTD_MultiTarget
P22748 CA4 Homo sapiens Human PF00194 7.6 Ki ChEMBL;BindingDB
P00915 CA1 Homo sapiens Human PF00194 7.2 Ki ChEMBL;BindingDB