Compound Detail

CHEMBL235209

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C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL235209
Phase	Preclinical
Structure Type	MOL
InChI Key	MIAURGNSNSBTNK-HXUWFJFHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

372.5

MW (Da)

4.39

ALogP

HBA

HBD

62.0

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.81

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mineralocorticoid receptor CHEMBL1994	Ki	8.81	8.81	1.6	1
Progesterone receptor CHEMBL208	Ki	6.86	6.86	137.0	1
Glucocorticoid receptor CHEMBL2034	Ki	6.78	6.78	167.0	1
Androgen receptor CHEMBL1871	Ki	6.07	6.07	849.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mineralocorticoid receptor	Ki	=	1.56	nM	8.81	Binding affinity to human mineralocorticoid receptor	18038968
Progesterone receptor	Ki	=	137.0	nM	6.86	Binding affinity to human progesterone receptor	18038968
Glucocorticoid receptor	Ki	=	167.0	nM	6.78	Binding affinity to human glucocorticoid receptor	18038968
Androgen receptor	Ki	=	849.0	nM	6.07	Binding affinity to human androgen receptor	18038968

PubMed	DOI	Target Context	# Activities
18038968	10.1021/jm701186z	Mineralocorticoid receptor	2
18038968	10.1021/jm701186z	Glucocorticoid receptor	1
18038968	10.1021/jm701186z	Androgen receptor	1
18038968	10.1021/jm701186z	Progesterone receptor	1
18038968	10.1021/jm701186z	Estrogen receptor	1
18038968	10.1021/jm701186z	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine