Compound Detail

CHEMBL305298

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Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL305298
Phase	Preclinical
Structure Type	MOL
InChI Key	WMIPEGGWIZEEMY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

305.4

MW (Da)

3.72

ALogP

HBA

HBD

57.8

PSA (Å²)

0.87

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 8.64

IC50 2 meas. best 8.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Progesterone receptor CHEMBL208	EC50	8.64	8.595	2.3	2
Progesterone receptor CHEMBL208	IC50	8.48	8.48	3.3	1
Unchecked CHEMBL612545	IC50	8.47	8.47	3.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Progesterone receptor	EC50	=	2.3	nM	8.64	Agonist activity at human PR expressed in human T47D cells assessed as stimulati...	18318463
Progesterone receptor	EC50	=	2.8	nM	8.55	Agonistic activity measures the ability to induce alkaline phosphatase in T47D h...	15081005
Progesterone receptor	IC50	=	3.3	nM	8.48	Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay	18318463
Unchecked	IC50	=	3.4	nM	8.47	Displacement of [3H]progesterone at progesterone receptor of T47D cells	15081005

PubMed	DOI	Target Context	# Activities
15081005	10.1016/j.bmcl.2004.02.054	Progesterone receptor	2
18318463	10.1021/jm701080t	Progesterone receptor	2
15081005	10.1016/j.bmcl.2004.02.054	Unchecked	1

Data from ChEMBL 36 via Core Engine