Compound Detail

CHEMBL266709

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C=CCC1Oc2cccc(O)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL266709
Phase	Preclinical
Structure Type	MOL
InChI Key	WISJIBWIQKICSR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.4

MW (Da)

5.68

ALogP

HBA

HBD

41.5

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.56

EC50 2 meas. best 6.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	Ki	7.56	7.56	27.6	1
Glucocorticoid receptor CHEMBL2034	EC50	6.6	6.43	250.0	2
Progesterone receptor CHEMBL208	Ki	6.48	6.48	330.0	1
Unchecked CHEMBL612545	Ki	5.86	5.86	1370.0	1
Androgen receptor CHEMBL1871	Ki	5.69	5.69	2060.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	Ki	=	27.6	nM	7.56	Binding affinity towards human glucocorticoid receptor (GR) was determined using...	12620078
Glucocorticoid receptor	EC50	=	250.0	nM	6.6	Transcriptional repression in HepG2 cells expressing human glucocorticoid recept...	12620078
Progesterone receptor	Ki	=	330.0	nM	6.48	Displacement of [3H]progesterone from human Progesterone receptor A	12620078
Glucocorticoid receptor	EC50	=	550.0	nM	6.26	Transcriptional activation in CV-1 cells expressing human glucocorticoid recepto...	12620078
Unchecked	Ki	=	1370.0	nM	5.86	Binding affinity towards aldosterone receptor (Mineralocorticoid receptor)	12620078
Androgen receptor	Ki	=	2060.0	nM	5.69	Binding affinity towards testosterone receptor	12620078

PubMed	DOI	Target Context	# Activities
12620078	10.1021/jm020335m	Glucocorticoid receptor	5
12620078	10.1021/jm020335m	Unchecked	2
12620078	10.1021/jm020335m	Progesterone receptor	1
12620078	10.1021/jm020335m	Androgen receptor	1

Data from ChEMBL 36 via Core Engine