Compound Detail

CHEMBL32603

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CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL32603
Phase	Preclinical
Structure Type	MOL
InChI Key	OCLPHOSZZDWUFZ-JCMHNJIXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

381.5

MW (Da)

6.12

ALogP

HBA

HBD

38.3

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 8.31

EC50 2 meas. best 7.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Progesterone receptor CHEMBL208	Ki	8.31	8.31	4.9	1
Progesterone receptor CHEMBL208	EC50	7.77	7.755	17.0	2
Glucocorticoid receptor CHEMBL2034	Ki	6.17	6.17	680.0	1
Androgen receptor CHEMBL1871	Ki	5.92	5.92	1196.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Progesterone receptor	Ki	=	4.9	nM	8.31	Compound was evaluated for its binding affinity against baculovirus expressed Pr...	10212133
Progesterone receptor	EC50	=	17.0	nM	7.77	Compound was tested for agonistic activity by cotransfection assay against human...	10212133
Progesterone receptor	EC50	=	18.3	nM	7.74	Agonistic activity by cotransfection assay against human Progesterone receptor i...	10212133
Glucocorticoid receptor	Ki	=	680.0	nM	6.17	Binding affinity against baculovirus expressed human glucocorticoid receptor (hG...	10212133
Androgen receptor	Ki	=	1196.0	nM	5.92	Binding affinity against baculovirus expressed human androgen receptor (hAR)	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