Molecule Details
InChIKeyPBTDKUWFKYCPCN-UHFFFAOYSA-N
Compound Name{{2-[2-(2-{Carboxymethyl-[(5-chloro-2,4-disulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-chloro-2,4-disulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
Canonical SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CN(CCOCCOCCN(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 pChEMBL7.69
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 7.9 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.9 pIC50 TTD_MultiTarget
P00915 CA1 Homo sapiens Human PF00194 7.3 Ki ChEMBL;BindingDB