Compound Detail

CHEMBL1761282

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CCn1c(=O)n(C2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1761282
Phase	Preclinical
Structure Type	MOL
InChI Key	NXTBLPPTZRPJCA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

439.5

MW (Da)

4.87

ALogP

HBA

HBD

69.1

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fatty-acid amide hydrolase 1 CHEMBL2243	IC50	8.0	7.76	10.0	2
Fatty-acid amide hydrolase 1 CHEMBL3229	IC50	7.22	7.22	60.0	1

Parameter	Value	Units	Species
CL	6.667	mL.min-1.kg-1	Rattus norvegicus
Cmax	4400.0	nM	Rattus norvegicus
F	92.0	%	Rattus norvegicus
MRT	5.5	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fatty-acid amide hydrolase 1	IC50	=	10.0	nM	8.0	Reversible inhibition of human FAAH	21764305
Fatty-acid amide hydrolase 1	IC50	=	30.0	nM	7.52	Inhibition of human FAAH assessed as hydrolysis of anandamido-amino-methyl-cumar...	21392988
Fatty-acid amide hydrolase 1	IC50	=	60.0	nM	7.22	Inhibition of rat FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin	21392988

PubMed	DOI	Target Context	# Activities
21392988	10.1016/j.bmcl.2011.02.052	Rattus norvegicus	5
21392988	10.1016/j.bmcl.2011.02.052	Fatty-acid amide hydrolase 1	2
21392988	10.1016/j.bmcl.2011.02.052	Plasma	2
21392988	10.1016/j.bmcl.2011.02.052	Blood	2
21392988	10.1016/j.bmcl.2011.02.052	Brain	2
21392988	10.1016/j.bmcl.2011.02.052	Nucleic Acid	1
21764305	10.1016/j.bmcl.2011.06.096	Fatty-acid amide hydrolase 1	1

Data from ChEMBL 36 via Core Engine