Compound Detail

CHEMBL239512

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CC(Cl)(Cl)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/C#N)Nc1cccnc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL239512
Phase	Preclinical
Structure Type	MOL
InChI Key	VWXQCJYCNKGDEL-HNNXBMFYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

425.7

MW (Da)

3.52

ALogP

HBA

HBD

102.2

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sulfonylurea receptor 2, Kir6.2 CHEMBL2095198	EC50	6.5	6.5	316.2	1
ATP-sensitive inward rectifier potassium channel 11 CHEMBL1886	EC50	6.47	6.47	338.8	1
Sulfonylurea receptors; K-ATP channels CHEMBL2095152	EC50	5.3	5.3	5011.9	1
Unchecked CHEMBL612545	EC50	5.26	5.26	5495.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sulfonylurea receptor 2, Kir6.2	EC50	=	316.23	nM	6.5	In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing hum...	14698167
ATP-sensitive inward rectifier potassium channel 11	EC50	=	338.84	nM	6.47	Channel opening activity at human bladder Kir6.2 channel containing SUR2B expres...	17973362
Sulfonylurea receptors; K-ATP channels	EC50	=	5011.87	nM	5.3	In vitro functional potassium channel opening activity in tissue strips obtained...	14698167
Unchecked	EC50	=	5495.41	nM	5.26	Activity at Kir6.2 channel in Landrace pig bladder detrusor assessed as relaxati...	17973362

PubMed	DOI	Target Context	# Activities
14698167	10.1016/j.bmcl.2003.10.063	Sulfonylurea receptor 2, Kir6.2	1
14698167	10.1016/j.bmcl.2003.10.063	Sulfonylurea receptors; K-ATP channels	1
17973362	10.1021/jm7010194	ATP-sensitive inward rectifier potassium channel 11	1
17973362	10.1021/jm7010194	Unchecked	1

Data from ChEMBL 36 via Core Engine