Compound Detail

CHEMBL3262888

Enter ChEMBL ID:

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

COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3262888
Phase	Preclinical
Structure Type	MOL
InChI Key	VDNZNRMNHMVISM-LFYBBSHMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

380.4

MW (Da)

2.70

ALogP

HBA

HBD

59.1

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
G-protein coupled receptor 183 CHEMBL3259470	IC50	7.5	7.495	32.0	2
G-protein coupled receptor 183 CHEMBL3259471	IC50	7.26	7.26	55.0	2

Parameter	Value	Units	Species
AUC	319.95	ng.hr.mL-1	Mus musculus
CL	90.0	mL.min-1.g-1	Mus musculus
CL	52.0	mL.min-1.g-1	Mus musculus
T1/2	0.2	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
G-protein coupled receptor 183	IC50	=	32.0	nM	7.5	Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells as...	24678947
G-protein coupled receptor 183	IC50	=	32.36	nM	7.49	Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells as...	24678947
G-protein coupled receptor 183	IC50	=	55.0	nM	7.26	Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells as...	24678947
G-protein coupled receptor 183	IC50	=	54.95	nM	7.26	Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells as...	24678947

PubMed	DOI	Target Context	# Activities
24678947	10.1021/jm4019355	Mus musculus	4
24678947	10.1021/jm4019355	G-protein coupled receptor 183	4
24678947	10.1021/jm4019355	Liver	1

Data from ChEMBL 36 via Core Engine