Compound Detail

CHEMBL462582

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CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL462582
Phase	Preclinical
Structure Type	MOL
InChI Key	FHIBETIKXBGJPS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

379.5

MW (Da)

7.09

ALogP

HBA

HBD

59.3

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 10.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Monoglyceride lipase CHEMBL5774	IC50	10.15	8.655	0.1	2
Cannabinoid receptor 1 CHEMBL3037	IC50	8.4	8.4	4.0	1
Fatty-acid amide hydrolase 1 CHEMBL3455	IC50	7.92	7.92	12.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Monoglyceride lipase	IC50	=	0.07	nM	10.15	Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain	18752948
Cannabinoid receptor 1	IC50	=	4.0	nM	8.4	Displacement of [3H]CP-55940 from CB1 receptor in mouse brain	18752948
Fatty-acid amide hydrolase 1	IC50	=	12.0	nM	7.92	Inhibition of FAAH-mediated [3H]anandamide hydrolysis in mouse brain	18752948
Monoglyceride lipase	IC50	=	70.0	nM	7.16	Inhibition of MAGL-mediated [14C]1-oleoylglycerol hydrolysis in mouse brain	18752948

PubMed	DOI	Target Context	# Activities
18752948	10.1016/j.bmcl.2008.08.007	Mus musculus	6
18752948	10.1016/j.bmcl.2008.08.007	Monoglyceride lipase	2
18752948	10.1016/j.bmcl.2008.08.007	Fatty-acid amide hydrolase 1	1
18752948	10.1016/j.bmcl.2008.08.007	Cannabinoid receptor 1	1

Data from ChEMBL 36 via Core Engine