Compound Detail

CHEMBL294116

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CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(C)cc1-3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL294116
Phase	Preclinical
Structure Type	MOL
InChI Key	HMUFHZZKXUITHF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

291.4

MW (Da)

5.16

ALogP

HBA

HBD

21.3

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 7.35

EC50 2 meas. best 7.12

IC50 1 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Progesterone receptor CHEMBL208	Ki	7.35	7.3333	44.7	3
Progesterone receptor CHEMBL208	EC50	7.12	7.12	75.0	2
Progesterone receptor CHEMBL208	IC50	7.0	7.0	100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Progesterone receptor	Ki	=	45.0	nM	7.35	Binding affinity at human progesterone receptor.	12781198
Progesterone receptor	Ki	=	44.67	nM	7.35	Displacement of [3H]progesterone from Progesterone receptor	16821785
Progesterone receptor	Ki	=	50.2	nM	7.3	Binding affinity was determined against hPR-A (human progesterone receptor) usin...	9873735
Progesterone receptor	EC50	=	75.0	nM	7.12	Antagonist activity against hPR (human progesterone receptor) compared to that o...	9873735
Progesterone receptor	EC50	=	76.0	nM	7.12	Antagonistic activity at human progesterone receptor in CV-1 cells.	12781198
Progesterone receptor	IC50	=	100.0	nM	7.0	Inhibition of human progesterone receptor activation in T47D human breast cancer...	12781198

PubMed	DOI	Target Context	# Activities
12781198	10.1016/s0960-894x(03)00256-7	Progesterone receptor	7
9873735	10.1016/s0960-894x(98)00608-8	Progesterone receptor	5
16821785	10.1021/jm060234e	Progesterone receptor	1

Data from ChEMBL 36 via Core Engine