Compound Detail

CHEMBL212041

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CC(C)(NC1=NS(=O)(=O)c2sc(Cl)cc2N1)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL212041
Phase	Preclinical
Structure Type	MOL
InChI Key	XUSQKHZVTSWKMN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

355.9

MW (Da)

3.40

ALogP

HBA

HBD

70.6

PSA (Å²)

0.87

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 7.4

IC50 2 meas. best 7.09

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rattus norvegicus CHEMBL376	EC50	7.4	7.4	40.0	1
Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972	IC50	7.09	7.09	81.0	1
Beta-TC3 CHEMBL614063	EC50	6.89	6.89	130.0	1
Sulfonylurea receptor 1, Kir6.2 CHEMBL2096972	EC50	6.75	6.75	180.0	1
Beta-TC6 CHEMBL614357	EC50	6.62	6.62	240.0	1

Parameter	Value	Units	Species
CL	7.3	mL.min-1.kg-1	Rattus norvegicus
Cmax	7269.51	nM	Rattus norvegicus
F	82.0	%	Rattus norvegicus
T1/2	0.8667	hr	Rattus norvegicus
Tmax	0.25	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	EC50	=	40.0	nM	7.4	Inhibition of glucose-stimulated insulin release in Wistar rat islets	16821773
Sulfonylurea receptor 1, Kir6.2	IC50	=	81.0	nM	7.09	Displacement of [3H]glibenclamide from human Kir6.2/SUR1 expressed in HEK293 cel...	16821773
Beta-TC3	EC50	=	130.0	nM	6.89	Repolarization of beta-TC3 cells	16821773
Sulfonylurea receptor 1, Kir6.2	EC50	=	180.0	nM	6.75	Repolarization of HEK293 cells expressing Kir6.2/SUR1 KATP channels	16821773
Beta-TC6	EC50	=	240.0	nM	6.62	Inhibition of glucose-stimulated insulin release in betaTC6 cells	16821773

PubMed	DOI	Target Context	# Activities
16821773	10.1021/jm060042j	Rattus norvegicus	9
16821773	10.1021/jm060042j	Sulfonylurea receptor 1, Kir6.2	3
16821773	10.1021/jm060042j	Beta-TC6	2
16821773	10.1021/jm060042j	Beta-TC3	1

Data from ChEMBL 36 via Core Engine