Compound Detail

CHEMBL3337823

Enter ChEMBL ID:

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

CCCCn1nc(C)c(-c2ccc3c(c2)NC(=O)CO3)c1-c1ccc(F)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3337823
Phase	Preclinical
Structure Type	MOL
InChI Key	FQMFTUCSUZPVDH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

379.4

MW (Da)

4.80

ALogP

HBA

HBD

56.1

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mineralocorticoid receptor CHEMBL1994	IC50	7.66	7.505	22.0	2
Progesterone receptor CHEMBL208	IC50	5.85	5.625	1400.0	2
Androgen receptor CHEMBL1871	IC50	5.44	5.44	3600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mineralocorticoid receptor	IC50	=	22.0	nM	7.66	Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed ...	25187277
Mineralocorticoid receptor	IC50	=	45.0	nM	7.35	Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells ...	25187277
Progesterone receptor	IC50	=	1400.0	nM	5.85	Displacement of [3H]-Dexamethasone from glucocorticoid receptor (unknown origin)...	25187277
Androgen receptor	IC50	=	3600.0	nM	5.44	Displacement of [3H]testosterone from androgen receptor (unknown origin) express...	25187277
Progesterone receptor	IC50	=	4000.0	nM	5.4	Displacement of [[3H]-Progesterone from progesterone receptor (unknown origin) e...	25187277

PubMed	DOI	Target Context	# Activities
25187277	10.1016/j.bmc.2014.07.038	Mineralocorticoid receptor	3
25187277	10.1016/j.bmc.2014.07.038	Progesterone receptor	2
25187277	10.1016/j.bmc.2014.07.038	Androgen receptor	1

Data from ChEMBL 36 via Core Engine