Compound Detail

CHEMBL1310568

Enter ChEMBL ID:

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

Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1310568
Phase	Preclinical
Structure Type	MOL
InChI Key	RREKAVMWLSIMRT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

330.4

MW (Da)

4.50

ALogP

HBA

HBD

58.2

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Potassium channel subfamily K member 3 CHEMBL2321613	IC50	7.57	7.345	27.0	2
Potassium channel subfamily K member 9 CHEMBL2321614	IC50	6.3	6.23	500.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Potassium channel subfamily K member 3	IC50	=	27.0	nM	7.57	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as...	25017033
Potassium channel subfamily K member 3	IC50	=	75.0	nM	7.12	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay	25017033
Potassium channel subfamily K member 9	IC50	=	500.0	nM	6.3	Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux as...	25017033
Potassium channel subfamily K member 9	IC50	=	690.0	nM	6.16	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	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
25017033	10.1016/j.bmcl.2014.06.032	Potassium voltage-gated channel subfamily KQT member 2	1

Data from ChEMBL 36 via Core Engine