Compound Detail

CHEMBL4447844

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Cc1ccc(-c2cnc3nc(C(=O)CCCCCc4ccccc4)oc3c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4447844
Phase	Preclinical
Structure Type	MOL
InChI Key	XDHONXIOZAUYDB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

384.5

MW (Da)

6.18

ALogP

HBA

HBD

56.0

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.6

Ki 1 meas. best 9.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Diacylglycerol lipase-alpha CHEMBL5180	Ki	9.64	9.64	0.2	1
Diacylglycerol lipase-alpha CHEMBL5180	IC50	8.6	8.1	2.5	2
Diacylglycerol lipase-alpha CHEMBL5545	IC50	8.5	8.2	3.2	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Diacylglycerol lipase-alpha	Ki	=	0.23	nM	9.64	Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes assessed as i...	31437392
Diacylglycerol lipase-alpha	IC50	=	2.512	nM	8.6	Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated...	31437392
Diacylglycerol lipase-alpha	IC50	=	3.162	nM	8.5	Inhibition of human DAGLalpha expressed in HEK293T cell membrane fractions using...	27394666
Diacylglycerol lipase-alpha	IC50	=	12.59	nM	7.9	Inhibition of DAGLalpha (unknown origin) by natural substrate assay	27394666
Diacylglycerol lipase-alpha	IC50	=	25.12	nM	7.6	Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins follow...	27394666

PubMed	DOI	Target Context	# Activities
27394666	10.1016/j.bmcl.2016.06.076	Diacylglycerol lipase-alpha	3
31437392	10.1021/acs.jmedchem.9b00686	Diacylglycerol lipase-alpha	2

Data from ChEMBL 36 via Core Engine