(2S,3R)-2-(4-{2-[4-(2-Hydroxy-ethyl)-piperidin-1-yl]-ethoxy}-phenyl)-3-(4-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol

InChIKey	`UJUYKKWTTSCBQE-URLMMPGGSA-N`
Compound Name	(2S,3R)-2-(4-{2-[4-(2-Hydroxy-ethyl)-piperidin-1-yl]-ethoxy}-phenyl)-3-(4-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol
Canonical SMILES	`OCCC1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	8.14
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P03372	ESR1	Homo sapiens	Human	PF12743 PF00104 PF02159 PF00105	8.1	IC50	ChEMBL;BindingDB
P18505	GABRB1	Homo sapiens	Human	PF02931 PF02932	8.1	pIC50	TTD_MultiTarget
Q96WX4	erg6	Pneumocystis carinii (strain B80)	Pathogen	PF08241 PF08498	8.1	pIC50	TTD_MultiTarget