Compound Detail

CHEMBL1929041

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Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1cc(Cl)c2c(c1)NC(=O)CO2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1929041
Phase	Preclinical
Structure Type	MOL
InChI Key	WDYCDBMOJVBUFD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

425.8

MW (Da)

4.99

ALogP

HBA

HBD

56.1

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mineralocorticoid receptor CHEMBL1994	IC50	7.92	7.54	12.0	2
Glucocorticoid receptor CHEMBL2034	IC50	6.7	6.7	200.0	1
Progesterone receptor CHEMBL208	IC50	6.03	6.03	930.0	1
Androgen receptor CHEMBL1871	IC50	5.35	5.35	4500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mineralocorticoid receptor	IC50	=	12.0	nM	7.92	Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cell...	22074142
Mineralocorticoid receptor	IC50	=	70.0	nM	7.16	Antagonist activity at human MR transfected in human COS1 cells after 1 day by l...	22074142
Glucocorticoid receptor	IC50	=	200.0	nM	6.7	Displacement of [3H]dexomethasone from GR	22074142
Progesterone receptor	IC50	=	930.0	nM	6.03	Displacement of [3H]progesterone from PR	22074142
Androgen receptor	IC50	=	4500.0	nM	5.35	Displacement of [3H]testosterone from AR	22074142

PubMed	DOI	Target Context	# Activities
22074142	10.1021/jm2011645	Mineralocorticoid receptor	2
22074142	10.1021/jm2011645	Glucocorticoid receptor	1
22074142	10.1021/jm2011645	Androgen receptor	1
22074142	10.1021/jm2011645	Progesterone receptor	1

Data from ChEMBL 36 via Core Engine