Molecule Details
InChIKeyCLYUNXJFERDYMU-VHWLVUOQSA-N
Compound Name(2S,3aS,4R,9bR)-4-(4-hydroxyphenyl)-2-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
Canonical SMILESOc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3C[C@H](C(F)(F)F)C[C@@H]32)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL8.84
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
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 9.2 Ki ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 7.9 Ki ChEMBL;BindingDB
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 9.2 pIC50 TTD_MultiTarget