Compound Detail

CHEMBL3262892

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COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc(Cl)c(C)c3)CC2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3262892
Phase	Preclinical
Structure Type	MOL
InChI Key	SUFWNATZTNAVJS-BJMVGYQFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

398.9

MW (Da)

3.65

ALogP

HBA

HBD

49.9

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
G-protein coupled receptor 183 CHEMBL3259470	IC50	7.89	7.89	12.9	2
G-protein coupled receptor 183 CHEMBL3259471	IC50	7.68	7.68	20.9	2

Parameter	Value	Units	Species
CL	239.0	mL.min-1.g-1	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
G-protein coupled receptor 183	IC50	=	13.0	nM	7.89	Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells as...	24678947
G-protein coupled receptor 183	IC50	=	12.88	nM	7.89	Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells as...	24678947
G-protein coupled receptor 183	IC50	=	21.0	nM	7.68	Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells as...	24678947
G-protein coupled receptor 183	IC50	=	20.89	nM	7.68	Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells as...	24678947

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

Data from ChEMBL 36 via Core Engine