Compound Detail

CHEMBL219314

Enter ChEMBL ID:

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

COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)c2ccccc21)C(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL219314
Phase	Preclinical
Structure Type	MOL
InChI Key	VQMSYLLYQOARPD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

439.4

MW (Da)

4.89

ALogP

HBA

HBD

49.8

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	IC50	8.4	8.4	4.0	1
Progesterone receptor CHEMBL208	IC50	7.05	7.05	90.0	1
HFF CHEMBL614071	IC50	6.96	6.96	110.0	1
Mineralocorticoid receptor CHEMBL1994	IC50	6.89	6.89	130.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	IC50	=	4.0	nM	8.4	Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP ass...	17181172
Progesterone receptor	IC50	=	90.0	nM	7.05	Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay	17181172
HFF	IC50	=	110.0	nM	6.96	Inhibition of IL1-stimulated IL6 production in HFF cells	17181172
Mineralocorticoid receptor	IC50	=	130.0	nM	6.89	Inhibition of tetramethylrhodamine labeled dexamethasone binding to MR by FP ass...	17181172

PubMed	DOI	Target Context	# Activities
17181172	10.1021/jm061273t	HFF	2
17181172	10.1021/jm061273t	Glucocorticoid receptor	1
17181172	10.1021/jm061273t	Mineralocorticoid receptor	1
17181172	10.1021/jm061273t	Progesterone receptor	1
17181172	10.1021/jm061273t	Unchecked	1

Data from ChEMBL 36 via Core Engine