Compound Detail

CHEMBL34824

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CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL34824
Phase	Preclinical
Structure Type	MOL
InChI Key	RUEYZSNXUIKMJQ-HMAPJEAMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

399.5

MW (Da)

6.26

ALogP

HBA

HBD

38.3

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 8.46

EC50 2 meas. best 8.06

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Progesterone receptor CHEMBL208	Ki	8.46	8.46	3.5	1
Progesterone receptor CHEMBL208	EC50	8.06	7.83	8.7	2
Androgen receptor CHEMBL1871	Ki	6.25	6.25	560.0	1
Glucocorticoid receptor CHEMBL2034	Ki	5.33	5.33	4728.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Progesterone receptor	Ki	=	3.5	nM	8.46	Compound was evaluated for its binding affinity against baculovirus expressed Pr...	10212133
Progesterone receptor	EC50	=	8.7	nM	8.06	Compound was tested for agonistic activity by cotransfection assay against human...	10212133
Progesterone receptor	EC50	=	25.0	nM	7.6	Agonistic activity by cotransfection assay against human Progesterone receptor i...	10212133
Androgen receptor	Ki	=	560.0	nM	6.25	Binding affinity against baculovirus expressed human androgen receptor (hAR)	10212133
Glucocorticoid receptor	Ki	=	4728.0	nM	5.33	Binding affinity against baculovirus expressed human glucocorticoid receptor (hG...	10212133

PubMed	DOI	Target Context	# Activities
10212133	10.1021/jm980723h	Progesterone receptor	5
10212133	10.1021/jm980723h	Androgen receptor	1
10212133	10.1021/jm980723h	Glucocorticoid receptor	1

Data from ChEMBL 36 via Core Engine