Molecule Details
InChIKeyNEJCLTSPAQHOPT-BAGUKLQFSA-N
Compound Name1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-3-[(4-sulfamoylphenyl)methyl]thiourea
Canonical SMILESNS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.5
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
O43570 CA12 Homo sapiens Human PF00194 8.1 Ki ChEMBL;BindingDB
Q16790 CA9 Homo sapiens Human PF00194 8.1 Ki ChEMBL;BindingDB
Q9ULX7 CA14 Homo sapiens Human PF00194 7.4 Ki ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 7.0 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.0 pIC50 TTD_MultiTarget