Compound Detail

CHEMBL303209

Enter ChEMBL ID:

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

CC1(C)OC(=O)Nc2ccc(-c3cccc(C#N)c3)cc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL303209
Phase	Preclinical
Structure Type	MOL
InChI Key	HVXMMYUSBANZAI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

278.3

MW (Da)

4.02

ALogP

HBA

HBD

62.1

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Progesterone receptor CHEMBL208	IC50	8.1	7.9567	8.0	3
Unchecked CHEMBL612545	IC50	7.75	7.75	18.0	1

Parameter	Value	Units	Species
AUC	460.0	ng.hr.mL-1	Rattus norvegicus
CL	36.33	mL.min-1.kg-1	Rattus norvegicus
T1/2	0.6	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Progesterone receptor	IC50	=	8.0	nM	8.1	Ability to block progesterone induced alkaline phosphatase activity in T47D huma...	15081005
Progesterone receptor	IC50	=	9.9	nM	8.0	Antagonist activity against progesterone receptor (PR) in an assay using PRE-luc...	12238914
Progesterone receptor	IC50	=	17.0	nM	7.77	Antagonist activity against progesterone receptor (PR) in an alkaline phosphatas...	12238914
Unchecked	IC50	=	18.0	nM	7.75	Displacement of [3H]progesterone at progesterone receptor of T47D cells	15081005

PubMed	DOI	Target Context	# Activities
12238914	10.1021/jm025555e	Progesterone receptor	4
12238914	10.1021/jm025555e	ADMET	2
15081005	10.1016/j.bmcl.2004.02.054	Progesterone receptor	2
12238914	10.1021/jm025555e	Rattus norvegicus	1
15081005	10.1016/j.bmcl.2004.02.054	Unchecked	1

Data from ChEMBL 36 via Core Engine