Compound Detail

CHEMBL374895

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NS(=O)(=O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL374895
Phase	Preclinical
Structure Type	MOL
InChI Key	NBRGHYDUKUTOFG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

412.5

MW (Da)

4.36

ALogP

HBA

HBD

103.3

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.7

Ki 2 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fatty-acid amide hydrolase 1 CHEMBL2243	Ki	8.7	8.7	2.0	2
Liver carboxylesterase 1 CHEMBL2265	IC50	6.7	6.7	200.0	1
Fatty-acid amide hydrolase 1 CHEMBL2243	IC50	6.4	6.4	400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fatty-acid amide hydrolase 1	Ki	=	2.0	nM	8.7	Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid...	17279740
Fatty-acid amide hydrolase 1	Ki	=	2.0	nM	8.7	Inhibition of FAAH	18983142
Liver carboxylesterase 1	IC50	=	200.0	nM	6.7	Inhibition of TGH	17279740
Fatty-acid amide hydrolase 1	IC50	=	400.0	nM	6.4	Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid...	17279740

PubMed	DOI	Target Context	# Activities
17279740	10.1021/jm0611509	Fatty-acid amide hydrolase 1	2
17279740	10.1021/jm0611509	Unchecked	2
17279740	10.1021/jm0611509	Neutral cholesterol ester hydrolase 1	1
17279740	10.1021/jm0611509	Liver carboxylesterase 1	1
18983142	10.1021/jm800311k	Fatty-acid amide hydrolase 1	1

Data from ChEMBL 36 via Core Engine