Compound Detail

CHEMBL239514

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CC(Cl)(Cl)C(NC(=O)c1ccc(Cl)cc1)N/C(=N/C#N)Nc1ccc(Cl)nc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL239514
Phase	Preclinical
Structure Type	MOL
InChI Key	NULKQOQUGAKMTR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

460.1

MW (Da)

4.18

ALogP

HBA

HBD

102.2

PSA (Å²)

0.16

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATP-sensitive inward rectifier potassium channel 11 CHEMBL1886	EC50	6.34	6.34	457.1	1
Portal vein CHEMBL613654	EC50	6.09	6.09	812.8	1

Parameter	Value	Units	Species
CL	2.167	mL.min-1.kg-1	Canis lupus familiaris
F	100.0	%	Canis lupus familiaris
T1/2	9.9	hr	Canis lupus familiaris
T1/2	15.0	hr	Canis lupus familiaris
Tmax	0.4	hr	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ATP-sensitive inward rectifier potassium channel 11	EC50	=	457.09	nM	6.34	Channel opening activity at human bladder Kir6.2 channel containing SUR2B expres...	17973362
Portal vein	EC50	=	812.83	nM	6.09	Effect on rat portal vein	17973362

PubMed	DOI	Target Context	# Activities
17973362	10.1021/jm7010194	Sus scrofa	5
17973362	10.1021/jm7010194	Canis familiaris	5
17973362	10.1021/jm7010194	ATP-sensitive inward rectifier potassium channel 11	1
17973362	10.1021/jm7010194	Portal vein	1

Data from ChEMBL 36 via Core Engine