Compound Detail

CHEMBL2426636

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CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2426636
Phase	Preclinical
Structure Type	MOL
InChI Key	MATZYFFMBFOOKH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

437.5

MW (Da)

5.56

ALogP

HBA

HBD

72.7

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 8.77

EC50 1 meas. best 7.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucocorticoid receptor CHEMBL2034	Ki	8.77	8.77	1.7	1
Glucocorticoid receptor CHEMBL2034	EC50	7.75	7.75	18.0	1
Progesterone receptor CHEMBL208	Ki	6.96	6.96	109.0	1
Androgen receptor CHEMBL1871	Ki	5.6	5.6	2513.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucocorticoid receptor	Ki	=	1.7	nM	8.77	Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence pol...	23953070
Glucocorticoid receptor	EC50	=	18.0	nM	7.75	Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhi...	23953070
Progesterone receptor	Ki	=	109.0	nM	6.96	Binding affinity to progesterone receptor (unknown origin) by fluorescence polar...	23953070
Androgen receptor	Ki	=	2513.0	nM	5.6	Binding affinity to androgen receptor (unknown origin) by fluorescence polarizat...	23953070

PubMed	DOI	Target Context	# Activities
23953070	10.1016/j.bmcl.2013.06.089	Glucocorticoid receptor	3
23953070	10.1016/j.bmcl.2013.06.089	Unchecked	2
23953070	10.1016/j.bmcl.2013.06.089	Progesterone receptor	1
23953070	10.1016/j.bmcl.2013.06.089	Androgen receptor	1

Data from ChEMBL 36 via Core Engine