Molecule Details
InChIKeyHIPPBEHEOAILBH-DWJUDJHJSA-N
Compound Name[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Canonical SMILESCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.58
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P00918 CA2 Homo sapiens Human PF00194 8.1 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.1 pIC50 TTD_MultiTarget
Q9ULX7 CA14 Homo sapiens Human PF00194 8.0 Ki ChEMBL;BindingDB
O43570 CA12 Homo sapiens Human PF00194 7.3 Ki ChEMBL;BindingDB
Q16790 CA9 Homo sapiens Human PF00194 6.4 Ki ChEMBL;BindingDB