Molecule Details
InChIKeyXPBBBOAUIGIBER-UHFFFAOYSA-N
Compound Name{(2-{Carboxymethyl-[(5-chloro-2,4-disulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-[(5-chloro-2,4-disulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
Canonical SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC(=O)O)cc1Cl
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.46
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00918 CA2 Homo sapiens Human PF00194 7.6 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.6 pIC50 TTD_MultiTarget
P00915 CA1 Homo sapiens Human PF00194 7.1 Ki ChEMBL;BindingDB