Compound Detail

CHEMBL3287192

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC(=O)n1ccc2cc(-c3cncc4ccccc34)ccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3287192
Phase	Preclinical
Structure Type	MOL
InChI Key	PCCKMWMFPXCDPG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

286.3

MW (Da)

4.52

ALogP

HBA

HBD

34.9

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cytochrome P450 11B2, mitochondrial CHEMBL2722	IC50	9.22	9.22	0.6	2
Cytochrome P450 11B1, mitochondrial CHEMBL1908	IC50	7.47	7.47	34.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cytochrome P450 11B2, mitochondrial	IC50	=	0.6	nM	9.22	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycortico...	24899257
Cytochrome P450 11B2, mitochondrial	IC50	=	0.6	nM	9.22	HTRF-Based Assay : V79 cell lines stably expressing the either the human CYP11B2...	-
Cytochrome P450 11B1, mitochondrial	IC50	=	34.0	nM	7.47	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycortico...	24899257

PubMed	DOI	Target Context	# Activities
24899257	10.1021/jm500140c	Cytochrome P450 11B2, mitochondrial	2
24899257	10.1021/jm500140c	Cytochrome P450 11B1, mitochondrial	2
24899257	10.1021/jm500140c	Unchecked	1
24899257	10.1021/jm500140c	Steroid 17-alpha-hydroxylase/17,20 lyase	1
24899257	10.1021/jm500140c	Aromatase	1

Data from ChEMBL 36 via Core Engine