Compound Detail

CHEMBL572212

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C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL572212
Phase	Preclinical
Structure Type	MOL
InChI Key	VKMOUZMRRMPZAB-AYRHNUGRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

408.6

MW (Da)

6.22

ALogP

HBA

HBD

38.0

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 8.7

Ki 1 meas. best 8.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	EC50	8.7	7.5033	2.0	3
Glucocorticoid receptor CHEMBL2034	Ki	8.51	8.51	3.1	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	EC50	=	2.0	nM	8.7	Transrepression activity at glucocorticoid receptor expressed in human A549 cell...	20047280
Glucocorticoid receptor	Ki	=	3.1	nM	8.51	Displacement of GS-red from human glucocorticoid receptor by fluorescent polariz...	20047280
Glucocorticoid receptor	EC50	=	33.0	nM	7.48	Transrepression activity at glucocorticoid receptor expressed in human A549 cell...	20047280
Glucocorticoid receptor	EC50	=	470.0	nM	6.33	Transactivation of GAL-4 tagged glucocorticoid receptor ligand binding domain ex...	20047280

PubMed	DOI	Target Context	# Activities
20047280	10.1021/jm901551w	Glucocorticoid receptor	7
20047280	10.1021/jm901551w	Mineralocorticoid receptor	2
20047280	10.1021/jm901551w	Androgen receptor	1

Data from ChEMBL 36 via Core Engine