Molecule Details
InChIKeyVMXKZXYUKBFHEP-UHFFFAOYSA-N
Compound Name{{2-[2-(2-{Carboxymethyl-[2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-ethoxy)-ethoxy]-ethyl}-[2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-acetic acid
Canonical SMILESNS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)OCCOc3ccc4nc(S(N)(=O)=O)sc4c3)CC(=O)O)cc2s1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.75
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 9.2 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 9.2 pIC50 TTD_MultiTarget
P00915 CA1 Homo sapiens Human PF00194 7.8 Ki ChEMBL;BindingDB