Compound Detail

CHEMBL8209

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C=CCC1Oc2cccc(C#N)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL8209
Phase	Preclinical
Structure Type	MOL
InChI Key	MNCTUCPUOSPLLV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

342.4

MW (Da)

5.84

ALogP

HBA

HBD

45.0

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 7.22

Ki 2 meas. best 8.03

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	Ki	8.03	8.03	9.3	1
Glucocorticoid receptor CHEMBL2034	EC50	7.22	6.965	60.0	2
Progesterone receptor CHEMBL208	Ki	5.84	5.84	1460.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	Ki	=	9.3	nM	8.03	Binding affinity towards human glucocorticoid receptor (GR) was determined using...	12620078
Glucocorticoid receptor	EC50	=	60.0	nM	7.22	Transcriptional repression in HepG2 cells expressing human glucocorticoid recept...	12620078
Glucocorticoid receptor	EC50	=	195.0	nM	6.71	Transcriptional activation in CV-1 cells expressing human glucocorticoid recepto...	12620078
Progesterone receptor	Ki	=	1460.0	nM	5.84	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