Molecule Details
InChIKeyCBYCNLHEUYGUFO-UHFFFAOYSA-N
Compound Name{{2-[Carboxymethyl-(2-{carboxymethyl-[(2-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(2-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
Canonical SMILESNS(=O)(=O)c1ccccc1NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc1ccccc1S(N)(=O)=O)CC(=O)O)CC(=O)O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.67
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 6.8 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.8 pIC50 TTD_MultiTarget
P22748 CA4 Homo sapiens Human PF00194 6.5 Ki ChEMBL;BindingDB