Compound Detail

CHEMBL1086899

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Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1086899
Phase	Preclinical
Structure Type	MOL
InChI Key	KZXMFJORGLUXJN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.8

MW (Da)

5.15

ALogP

HBA

HBD

58.2

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Potassium channel subfamily K member 3 CHEMBL2321613	IC50	8.52	8.52	3.0	1
Potassium channel subfamily K member 9 CHEMBL2321614	IC50	6.32	6.32	480.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Potassium channel subfamily K member 3	IC50	=	3.0	nM	8.52	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as...	25017033
Potassium channel subfamily K member 9	IC50	=	480.0	nM	6.32	Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux as...	25017033

PubMed	DOI	Target Context	# Activities
19875287	10.1016/j.bmcl.2009.10.059	Metabotropic glutamate receptor 5	2
25017033	10.1016/j.bmcl.2014.06.032	Potassium channel subfamily K member 3	2
25017033	10.1016/j.bmcl.2014.06.032	Potassium channel subfamily K member 9	1
25017033	10.1016/j.bmcl.2014.06.032	Unchecked	1
25017033	10.1016/j.bmcl.2014.06.032	Potassium voltage-gated channel subfamily KQT member 2	1
25017033	10.1016/j.bmcl.2014.06.032	Voltage-gated inwardly rectifying potassium channel KCNH2	1
25017033	10.1016/j.bmcl.2014.06.032	Inward rectifier potassium channel 2	1

Data from ChEMBL 36 via Core Engine