Molecule Details
InChIKeyCNASCDCRNFSTMP-ROUUACIJSA-N
Compound Name(S)-2-[(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionic acid
Canonical SMILESNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1Cl
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.47
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00915 CA1 Homo sapiens Human PF00194 7.6 Ki ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 7.4 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.4 pIC50 TTD_MultiTarget