Molecule Details
InChIKeyROBXYFBYHQCBMD-AUPCZCKCSA-N
Compound NameN-({1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-sulfamoylbenzamide
Canonical SMILESNS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.21
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
O43570 CA12 Homo sapiens Human PF00194 8.5 Ki ChEMBL;BindingDB
Q9ULX7 CA14 Homo sapiens Human PF00194 7.2 Ki ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 6.6 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.6 pIC50 TTD_MultiTarget