Molecule Details
InChIKeyAETJFEZDSLASSU-XTEPFMGCSA-N
Compound Name(2S,3R)-7-Hydroxy-3-(4-hydroxy-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-chroman-4-one
Canonical SMILESO=C1c2ccc(O)cc2O[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.31
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 7.3 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.3 pIC50 TTD_MultiTarget
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 7.3 pIC50 TTD_MultiTarget