Molecule Details
InChIKeyBAOYJOYLDRTITD-UHFFFAOYSA-O
Compound Name2,6-Diethyl-4-phenyl-1-{[2-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethylcarbamoyl]-methyl}-pyridinium; perchlorate
Canonical SMILESCCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.06
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 8.4 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.4 pIC50 TTD_MultiTarget
P00915 CA1 Homo sapiens Human PF00194 7.4 Ki ChEMBL;BindingDB