Molecule Details
InChIKeyJMSHBDSUSOGKTP-UHFFFAOYSA-N
Compound Name[2-(4-Butyl-phenyl)-6-hydroxy-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone
Canonical SMILESCCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL8.27
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 9.6 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.0 pIC50 TTD_MultiTarget
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 7.5 Ki ChEMBL;BindingDB
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 8.0 pIC50 TTD_MultiTarget