Compound Detail

CHEMBL3182449

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3182449
Phase	Preclinical
Structure Type	MOL
InChI Key	LMPGHYHPVDOEQI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

428.4

MW (Da)

5.61

ALogP

HBA

HBD

67.4

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Potassium channel subfamily K member 3 CHEMBL2321613	IC50	8.7	8.35	2.0	2
Potassium channel subfamily K member 9 CHEMBL2321614	IC50	6.6	6.56	250.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Potassium channel subfamily K member 3	IC50	=	2.0	nM	8.7	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as...	25017033
Potassium channel subfamily K member 3	IC50	=	10.0	nM	8.0	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay	25017033
Potassium channel subfamily K member 9	IC50	=	250.0	nM	6.6	Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay	25017033
Potassium channel subfamily K member 9	IC50	=	300.0	nM	6.52	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	No relevant target	4
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