{4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-phenyl}-[6-hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-methanone

InChIKey	`VLKYUZYMXSVULD-UHFFFAOYSA-N`
Compound Name	{4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-phenyl}-[6-hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-methanone
Canonical SMILES	`Cc1cc(C)nc(N2CCN(c3ccc(C(=O)c4c(-c5ccc(O)cc5)sc5cc(O)ccc45)cc3)CC2)n1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.55
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	8.7	IC50	ChEMBL;BindingDB
P18505	GABRB1	Homo sapiens	Human	PF02931 PF02932	7.2	pIC50	TTD_MultiTarget
Q92731	ESR2	Homo sapiens	Human	PF12497 PF00104 PF00105	7.2	IC50	ChEMBL;BindingDB
Q96WX4	erg6	Pneumocystis carinii (strain B80)	Pathogen	PF08241 PF08498	7.2	pIC50	TTD_MultiTarget