Compound Detail

CHEMBL48358

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C=C1C=CCC(C)(C)C1Cc1cc(OC)c(Br)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL48358
Phase	Preclinical
Structure Type	MOL
InChI Key	JNOHYAULZURALP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

337.3

MW (Da)

4.86

ALogP

HBA

HBD

29.5

PSA (Å²)

0.85

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 6.81

IC50 2 meas. best 6.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Progesterone receptor CHEMBL208	Ki	6.81	6.81	156.0	1
Progesterone receptor CHEMBL208	IC50	6.55	6.33	280.0	2
Androgen receptor CHEMBL1871	Ki	5.82	5.82	1518.0	1
Glucocorticoid receptor CHEMBL2034	Ki	5.56	5.56	2781.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Progesterone receptor	Ki	=	156.0	nM	6.81	Binding affinity determined for human Progesterone receptor A isoform	8627601
Progesterone receptor	IC50	=	280.0	nM	6.55	Antagonistic potency to the human progesterone receptor measured in the T-47D al...	8627601
Progesterone receptor	IC50	=	783.0	nM	6.11	Concentration required to give half-maximal inhibition against human Progesteron...	8627601
Androgen receptor	Ki	=	1518.0	nM	5.82	Binding affinity determined against human Androgen receptor	8627601
Glucocorticoid receptor	Ki	=	2781.0	nM	5.56	Binding affinity was determined for human glucocorticoid receptor(hGR).	8627601

PubMed	DOI	Target Context	# Activities
8627601	10.1021/jm950747d	Progesterone receptor	6
8627601	10.1021/jm950747d	Glucocorticoid receptor	1
8627601	10.1021/jm950747d	Androgen receptor	1
8627601	10.1021/jm950747d	Estrogen receptor	1

Data from ChEMBL 36 via Core Engine