Molecule Details
InChIKeyYHOXIEXEPIIKMD-UHFFFAOYSA-N
Compound Name9a-(4-Chlorobenzyl)-7-hydroxy-4-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-9,9a-dihydro-1H-fluoren-3(2H)-one
Canonical SMILESO=C1CCC2(Cc3ccc(Cl)cc3)Cc3cc(O)ccc3C2=C1c1ccc(OCCN2CCCCC2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.54
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 7.5 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.5 pIC50 TTD_MultiTarget
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 7.5 pIC50 TTD_MultiTarget