Compound Detail

CHEMBL219069

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CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL219069
Phase	Preclinical
Structure Type	MOL
InChI Key	LCTFQUGGLDHXTH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

389.4

MW (Da)

4.66

ALogP

HBA

HBD

42.2

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	IC50	7.55	7.55	28.0	1
HFF CHEMBL614071	IC50	7.11	7.11	78.0	1
Progesterone receptor CHEMBL208	IC50	6.97	6.97	106.0	1
Mineralocorticoid receptor CHEMBL1994	IC50	6.46	6.46	350.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	IC50	=	28.0	nM	7.55	Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP ass...	17181172
HFF	IC50	=	78.0	nM	7.11	Inhibition of IL1-stimulated IL6 production in HFF cells	17181172
Progesterone receptor	IC50	=	106.0	nM	6.97	Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay	17181172
Mineralocorticoid receptor	IC50	=	350.0	nM	6.46	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

Data from ChEMBL 36 via Core Engine