Compound Detail

CHEMBL296156

Enter ChEMBL ID:

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

C=C1C[C@H](CO)CC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL296156
Phase	Preclinical
Structure Type	MOL
InChI Key	HHTOHVPKRLNAMM-GXTWGEPZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

369.3

MW (Da)

4.31

ALogP

HBA

HBD

49.7

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 5.49

IC50 2 meas. best 5.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Progesterone receptor CHEMBL208	IC50	5.7	5.59	2000.0	2
Progesterone receptor CHEMBL208	Ki	5.49	5.49	3247.0	1
Glucocorticoid receptor CHEMBL2034	Ki	5.2	5.2	6386.0	1
Androgen receptor CHEMBL1871	Ki	5.17	5.17	6810.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Progesterone receptor	IC50	=	2000.0	nM	5.7	Antagonistic potency to the human progesterone receptor measured in the T-47D al...	8627601
Progesterone receptor	Ki	=	3247.0	nM	5.49	Binding affinity determined for human Progesterone receptor A isoform	8627601
Progesterone receptor	IC50	=	3300.0	nM	5.48	Concentration required to give half-maximal inhibition against human Progesteron...	8627601
Glucocorticoid receptor	Ki	=	6386.0	nM	5.2	Binding affinity was determined for human glucocorticoid receptor(hGR).	8627601
Androgen receptor	Ki	=	6810.0	nM	5.17	Binding affinity determined against human Androgen receptor	8627601

PubMed	DOI	Target Context	# Activities
8627601	10.1021/jm950747d	Progesterone receptor	7
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