Compound Detail

CHEMBL363989

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CC(C)NC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL363989
Phase	Preclinical
Structure Type	MOL
InChI Key	IYXFBLABOZUIDN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

308.2

MW (Da)

2.46

ALogP

HBA

HBD

70.6

PSA (Å²)

0.84

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 5.64

IC50 2 meas. best 6.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATP-binding cassette sub-family C member 8 CHEMBL1944490	IC50	6.55	6.55	280.0	1
Rattus norvegicus CHEMBL376	IC50	6.55	6.55	280.0	1
Rattus norvegicus CHEMBL376	EC50	5.64	5.64	2300.0	1
Aorta CHEMBL613606	EC50	5.64	5.64	2300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	IC50	=	280.0	nM	6.55	Concentration required to inhibit insulin release in rat pancreatic islets by 50...	16033278
ATP-binding cassette sub-family C member 8	IC50	=	280.0	nM	6.55	Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-in...	22077416
Rattus norvegicus	EC50	=	2300.0	nM	5.64	Concentration required to relax KCl induced rat aorta ring contractions by 50% u...	16033278
Aorta	EC50	=	2300.0	nM	5.64	Myorelaxant activity in rat aortic ring assessed as inhibition of KCL-induced co...	19919106

PubMed	DOI	Target Context	# Activities
16033278	10.1021/jm0580050	Rattus norvegicus	6
19919106	10.1021/jm9010093	Unchecked	4
19919106	10.1021/jm9010093	Aorta	1
22077416	10.1021/jm200786z	ATP-binding cassette sub-family C member 8	1
22077416	10.1021/jm200786z	Unchecked	1

Data from ChEMBL 36 via Core Engine