Compound Detail

CHEMBL7671

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C#Cc1cccc2c1-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL7671
Phase	Preclinical
Structure Type	MOL
InChI Key	QOOAVFNQEWFRQY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

341.4

MW (Da)

5.95

ALogP

HBA

HBD

21.3

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.16

EC50 2 meas. best 7.23

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	Ki	8.16	8.16	6.9	1
Glucocorticoid receptor CHEMBL2034	EC50	7.23	7.06	59.0	2
Unchecked CHEMBL612545	Ki	6.46	6.46	350.0	1
Androgen receptor CHEMBL1871	Ki	6.19	6.19	650.0	1
Progesterone receptor CHEMBL208	Ki	5.62	5.62	2400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	Ki	=	6.9	nM	8.16	Binding affinity towards human glucocorticoid receptor (GR) was determined using...	12620078
Glucocorticoid receptor	EC50	=	59.0	nM	7.23	Transcriptional repression in HepG2 cells expressing human glucocorticoid recept...	12620078
Glucocorticoid receptor	EC50	=	130.0	nM	6.89	Transcriptional activation in CV-1 cells expressing human glucocorticoid recepto...	12620078
Unchecked	Ki	=	350.0	nM	6.46	Binding affinity towards aldosterone receptor (Mineralocorticoid receptor)	12620078
Androgen receptor	Ki	=	650.0	nM	6.19	Binding affinity towards testosterone receptor	12620078
Progesterone receptor	Ki	=	2400.0	nM	5.62	Displacement of [3H]progesterone from human Progesterone receptor A	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