Molecule Details
InChIKeyIUCTWWGACJISNV-UHFFFAOYSA-N
Compound NameDiethyl 2-(2-(3-(4-(ethoxycarbonyl)-5-phenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)malonate
Canonical SMILESCCOC(=O)C(=NNc1cccc(-n2nc(C(=O)Nc3nnc(S(N)(=O)=O)s3)c(C(=O)OCC)c2-c2ccccc2)c1)C(=O)OCC
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.03
SourceChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.3 pIC50 TTD_MultiTarget
P00918 CA2 Homo sapiens Human PF00194 7.2 IC50 ChEMBL
P00915 CA1 Homo sapiens Human PF00194 6.6 IC50 ChEMBL