(2S,3R)-2-{4-[(1R,5S)-2-(2-Aza-bicyclo[3.1.0]hex-2-yl)-ethoxy]-phenyl}-3-(4-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol

InChIKey	`ISNMOIVTZCAIGR-TZGRGIEFSA-N`
Compound Name	(2S,3R)-2-{4-[(1R,5S)-2-(2-Aza-bicyclo[3.1.0]hex-2-yl)-ethoxy]-phenyl}-3-(4-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol
Canonical SMILES	`Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC[C@H]4C[C@H]43)cc2)cc1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.92
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	9.2	IC50	ChEMBL;BindingDB
P18505	GABRB1	Homo sapiens	Human	PF02931 PF02932	7.5	pIC50	TTD_MultiTarget
Q92731	ESR2	Homo sapiens	Human	PF12497 PF00104 PF00105	7.5	IC50	ChEMBL;BindingDB
Q96WX4	erg6	Pneumocystis carinii (strain B80)	Pathogen	PF08241 PF08498	7.5	pIC50	TTD_MultiTarget