Molecule Details
InChIKeyWGYZSJCMDOXKNM-WYNHLRBOSA-N
Compound Name(2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-2-{4-[(S)-2-((S)-3-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-chroman-6-ol
Canonical SMILESC[C@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)c(F)c4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL8.69
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 9.2 pIC50 TTD_MultiTarget
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 8.6 IC50 ChEMBL;BindingDB
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 7.7 IC50 ChEMBL;BindingDB
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 9.2 pIC50 TTD_MultiTarget