Molecule Details
InChIKeyXJTAOQFSXAHVBL-DXHZJSNDSA-N
Compound Name[(2R,3S,4R,5R,6R)-5-acetamido-3,4-bis(acetyloxy)-6-(4-{[(4-sulfamoylphenyl)formamido]methyl}-1H-1,2,3-triazol-1-yl)oxan-2-yl]methyl acetate
Canonical SMILESCC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.32
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 7.9 Ki ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 7.3 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.3 pIC50 TTD_MultiTarget
Q9ULX7 CA14 Homo sapiens Human PF00194 7.1 Ki ChEMBL;BindingDB
Q16790 CA9 Homo sapiens Human PF00194 6.9 Ki ChEMBL;BindingDB