Compound Detail

CHEMBL486494

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CC(C)NC(=O)Oc1cccc(-c2ccccc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL486494
Phase	Preclinical
Structure Type	MOL
InChI Key	AOMCLMJYDMDVOF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

255.3

MW (Da)

3.85

ALogP

HBA

HBD

38.3

PSA (Å²)

0.90

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fatty-acid amide hydrolase 1 CHEMBL3229	IC50	6.28	6.28	521.0	3

Parameter	Value	Units	Species
T1/2	1.03	hr	-
T1/2	0.3333	hr	Rattus norvegicus
T1/2	0.03167	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fatty-acid amide hydrolase 1	IC50	=	521.0	nM	6.28	Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis	18507372
Fatty-acid amide hydrolase 1	IC50	=	524.81	nM	6.28	Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis	18507372
Fatty-acid amide hydrolase 1	IC50	=	524.81	nM	6.28	Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillati...	21820769

PubMed	DOI	Target Context	# Activities
18507372	10.1021/jm701631z	Fatty-acid amide hydrolase 1	2
21820769	10.1016/j.ejmech.2011.07.021	No relevant target	2
21820769	10.1016/j.ejmech.2011.07.021	Plasma	2
21820769	10.1016/j.ejmech.2011.07.021	Liver	2
21820769	10.1016/j.ejmech.2011.07.021	Fatty-acid amide hydrolase 1	1

Data from ChEMBL 36 via Core Engine