Molecule Details
InChIKeyUQYNRUGJGAGAFC-QVMZXLCESA-N
Compound Name4-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
Canonical SMILESCc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)ccc12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL6.32
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 7.0 Ki ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 6.2 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.2 pIC50 TTD_MultiTarget
Q16790 CA9 Homo sapiens Human PF00194 6.1 Ki ChEMBL;BindingDB
P00915 CA1 Homo sapiens Human PF00194 6.1 Ki ChEMBL;BindingDB