Compound Detail

CHEMBL379292

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O=S1(=O)NC(NC2(c3ccccc3)CC2)=Nc2cc(Cl)sc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL379292
Phase	Preclinical
Structure Type	MOL
InChI Key	NSHQOOIHPDLZQY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

353.9

MW (Da)

2.96

ALogP

HBA

HBD

70.6

PSA (Å²)

0.87

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 6.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rattus norvegicus CHEMBL376	EC50	6.96	6.96	110.0	1
Beta-TC3 CHEMBL614063	EC50	6.32	6.32	480.0	1
Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972	EC50	6.09	6.09	810.0	1
Beta-TC6 CHEMBL614357	EC50	5.57	5.57	2670.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	EC50	=	110.0	nM	6.96	Inhibition of glucose-stimulated insulin release in Wistar rat islets	16821773
Beta-TC3	EC50	=	480.0	nM	6.32	Repolarization of beta-TC3 cells	16821773
Sulfonylurea receptor 1, Kir6.2	EC50	=	810.0	nM	6.09	Repolarization of HEK293 cells expressing Kir6.2/SUR1 KATP channels	16821773
Beta-TC6	EC50	=	2670.0	nM	5.57	Inhibition of glucose-stimulated insulin release in betaTC6 cells	16821773

PubMed	DOI	Target Context	# Activities
16821773	10.1021/jm060042j	Rattus norvegicus	4
16821773	10.1021/jm060042j	Beta-TC6	2
16821773	10.1021/jm060042j	Sulfonylurea receptor 1, Kir6.2	1
16821773	10.1021/jm060042j	Beta-TC3	1

Data from ChEMBL 36 via Core Engine