Compound Detail

CHEMBL3182725

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Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3182725
Phase	Preclinical
Structure Type	MOL
InChI Key	PKFCOUBPBLEJMZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

414.4

MW (Da)

5.40

ALogP

HBA

HBD

67.4

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Potassium channel subfamily K member 3 CHEMBL2321613	IC50	7.54	7.38	29.0	2
Potassium channel subfamily K member 9 CHEMBL2321614	IC50	6.12	6.06	750.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Potassium channel subfamily K member 3	IC50	=	29.0	nM	7.54	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as...	25017033
Potassium channel subfamily K member 3	IC50	=	60.0	nM	7.22	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay	25017033
Potassium channel subfamily K member 9	IC50	=	750.0	nM	6.12	Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux as...	25017033
Potassium channel subfamily K member 9	IC50	=	990.0	nM	6.0	Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay	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