Compound Detail

CHEMBL3182359

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COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3182359
Phase	Preclinical
Structure Type	MOL
InChI Key	ZAOJSRORLWWOMF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

376.4

MW (Da)

4.21

ALogP

HBA

HBD

76.7

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Potassium channel subfamily K member 3 CHEMBL2321613	IC50	8.0	7.76	10.0	2
Potassium channel subfamily K member 9 CHEMBL2321614	IC50	6.15	5.94	710.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Potassium channel subfamily K member 3	IC50	=	10.0	nM	8.0	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as...	25017033
Potassium channel subfamily K member 3	IC50	=	30.0	nM	7.52	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay	25017033
Potassium channel subfamily K member 9	IC50	=	710.0	nM	6.15	Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay	25017033
Potassium channel subfamily K member 9	IC50	=	1880.0	nM	5.73	Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux as...	25017033

PubMed	DOI	Target Context	# Activities
25017033	10.1016/j.bmcl.2014.06.032	Potassium channel subfamily K member 3	3
25017033	10.1016/j.bmcl.2014.06.032	Potassium channel subfamily K member 9	2
25017033	10.1016/j.bmcl.2014.06.032	Unchecked	2

Data from ChEMBL 36 via Core Engine