Molecule Details
InChIKeyXNOCKRPGZKAOEL-UHFFFAOYSA-N
Compound Name2-{3-(1H-Imidazol-4-yl)-2-[3-(4-sulfamoyl-phenyl)-thioureido]-propionylamino}-3-phenyl-propionic acid
Canonical SMILESNS(=O)(=O)c1ccc(NC(S)=NC(Cc2c[nH]cn2)C(=O)NC(Cc2ccccc2)C(=O)O)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.24
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 8.5 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.5 pIC50 TTD_MultiTarget
P00915 CA1 Homo sapiens Human PF00194 7.7 Ki ChEMBL;BindingDB