Compound Detail

CHEMBL132075

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O=S1(=O)NC(NC2CCCC2)=Nc2cc(Cl)sc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL132075
Phase	Preclinical
Structure Type	MOL
InChI Key	SEIUJUBQKCOMCO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

305.8

MW (Da)

2.21

ALogP

HBA

HBD

70.6

PSA (Å²)

0.84

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.4

IC50 2 meas. best 6.36

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	6.4	6.4	400.0	1
Rattus norvegicus CHEMBL376	IC50	6.36	6.36	440.0	1
Beta-TC6 CHEMBL614357	IC50	5.94	5.94	1150.0	1
Rattus norvegicus CHEMBL376	EC50	4.97	4.97	10800.0	1

Parameter	Value	Units	Species
AUC	3133.0	%	-

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	EC50	=	400.0	nM	6.4	Changes in potassium fluxes assessed in the glucose responsive insulin-producing...	12213059
Rattus norvegicus	IC50	=	440.0	nM	6.36	Inhibition of glucose-stimulated insulin release from Wistar rat islets	12213059
Beta-TC6	IC50	=	1150.0	nM	5.94	Ability to inhibit the release of insulin from the mouse beta-TC6 cell line	12213059
Rattus norvegicus	EC50	=	10800.0	nM	4.97	Vasodilation effects on Wistar rat mesenteric arteries precontracted with phenyl...	12213059

PubMed	DOI	Target Context	# Activities
12213059	10.1021/jm0208121	Rattus norvegicus	8
12213059	10.1021/jm0208121	Sulfonylurea receptor 1, Kir6.2	3
12213059	10.1021/jm0208121	Beta-TC6	2
12213059	10.1021/jm0208121	Unchecked	1
12213059	10.1021/jm0208121	ADMET	1

Data from ChEMBL 36 via Core Engine