Compound Detail

CHEMBL375838

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CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccccc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL375838
Phase	Preclinical
Structure Type	MOL
InChI Key	KJOQLFMPAVEWLJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

405.4

MW (Da)

4.37

ALogP

HBA

HBD

62.5

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	IC50	8.22	8.22	6.0	1
HFF CHEMBL614071	IC50	8.22	8.22	6.0	1
Mineralocorticoid receptor CHEMBL1994	IC50	6.35	6.35	450.0	1
Progesterone receptor CHEMBL208	IC50	6.26	6.26	555.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	IC50	=	6.0	nM	8.22	Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP ass...	17181172
HFF	IC50	=	6.0	nM	8.22	Inhibition of IL1-stimulated IL6 production in HFF cells	17181172
Mineralocorticoid receptor	IC50	=	450.0	nM	6.35	Inhibition of tetramethylrhodamine labeled dexamethasone binding to MR by FP ass...	17181172
Progesterone receptor	IC50	=	555.0	nM	6.26	Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay	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