Compound Detail

CHEMBL1929040

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1929040
Phase	Preclinical
Structure Type	MOL
InChI Key	WEKSEXQGHQCYBF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

409.3

MW (Da)

4.48

ALogP

HBA

HBD

56.1

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mineralocorticoid receptor CHEMBL1994	IC50	7.12	7.095	76.0	2
Glucocorticoid receptor CHEMBL2034	IC50	5.77	5.77	1700.0	1
Progesterone receptor CHEMBL208	IC50	5.75	5.75	1800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mineralocorticoid receptor	IC50	=	76.0	nM	7.12	Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cell...	22074142
Mineralocorticoid receptor	IC50	=	85.0	nM	7.07	Antagonist activity at human MR transfected in human COS1 cells after 1 day by l...	22074142
Glucocorticoid receptor	IC50	=	1700.0	nM	5.77	Displacement of [3H]dexomethasone from GR	22074142
Progesterone receptor	IC50	=	1800.0	nM	5.75	Displacement of [3H]progesterone from PR	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