Compound Detail

CHEMBL165803

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C[C@H]1CC[C@H]2Nc3cc4c(cc3[C@H]2C1)c(C(F)(F)F)cc(=O)n4C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL165803
Phase	Preclinical
Structure Type	MOL
InChI Key	APDOEOQZQMSOFL-IMSIIYSGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

336.4

MW (Da)

4.26

ALogP

HBA

HBD

34.0

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.32

Ki 1 meas. best 7.03

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Androgen receptor CHEMBL1871	IC50	7.32	7.32	48.0	1
Androgen receptor CHEMBL1871	Ki	7.03	7.03	94.0	1
Progesterone receptor CHEMBL208	IC50	6.42	6.42	380.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Androgen receptor	IC50	=	48.0	nM	7.32	Antagonistic activity (IC50) against human androgen receptor (hAR) in co-transfe...	9871534
Androgen receptor	Ki	=	94.0	nM	7.03	Binding affinity against Androgen receptor transfected into COS cells	9871534
Progesterone receptor	IC50	=	380.0	nM	6.42	Antagonistic activity against hPR in co-transfected CV-1 cell	9871534

PubMed	DOI	Target Context	# Activities
9871534	10.1016/s0960-894x(98)00107-3	Androgen receptor	5
9871534	10.1016/s0960-894x(98)00107-3	Progesterone receptor	2
9871534	10.1016/s0960-894x(98)00107-3	Glucocorticoid receptor	2
9871534	10.1016/s0960-894x(98)00107-3	Estrogen receptor	2
9871534	10.1016/s0960-894x(98)00107-3	Mineralocorticoid receptor	2

Data from ChEMBL 36 via Core Engine