Compound Detail

CHEMBL526098

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Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL526098
Phase	Preclinical
Structure Type	MOL
InChI Key	OWYWZVRZIUBCOM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

349.4

MW (Da)

3.73

ALogP

HBA

HBD

82.8

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 7.4

Ki 1 meas. best 8.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235	Ki	8.4	8.4	4.0	1
11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235	EC50	7.4	7.34	40.0	2

Parameter	Value	Units	Species
CL	0.06	mL.min-1.kg-1	Rattus norvegicus
F	89.0	%	Rattus norvegicus
T1/2	28.0	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
11-beta-hydroxysteroid dehydrogenase 1	Ki	=	4.0	nM	8.4	Inhibition of 11beta-HSD1	19473839
11-beta-hydroxysteroid dehydrogenase 1	EC50	=	40.0	nM	7.4	Inhibition of human 11beta-HSD1 in HEK293 cells	19473839
11-beta-hydroxysteroid dehydrogenase 1	EC50	=	53.0	nM	7.28	Inhibition of 11beta-HSD1 in human HEK293 cells	23489629

PubMed	DOI	Target Context	# Activities
23489629	10.1016/j.bmcl.2013.02.066	Rattus norvegicus	4
19473839	10.1016/j.bmcl.2009.05.011	11-beta-hydroxysteroid dehydrogenase 1	3
-	10.6019/CHEMBL3301361	No relevant target	2
23489629	10.1016/j.bmcl.2013.02.066	Liver microsomes	1
23489629	10.1016/j.bmcl.2013.02.066	11-beta-hydroxysteroid dehydrogenase 1	1

Data from ChEMBL 36 via Core Engine