Compound Detail

CHEMBL2419808

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CC(CCCCc1ccccc1)OC(=O)N[C@H]1C(=O)O[C@H]1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2419808
Phase	Preclinical
Structure Type	MOL
InChI Key	KGYJJKDSVCTGHM-RGPPAHDHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

305.4

MW (Da)

2.83

ALogP

HBA

HBD

64.6

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349	IC50	7.85	7.85	14.0	1
N-acylethanolamine-hydrolyzing acid amidase CHEMBL2034805	IC50	7.75	7.025	18.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
N-acylethanolamine-hydrolyzing acid amidase	IC50	=	14.0	nM	7.85	UPLC/MS Assay: NAAA protein preparation (10 ug) was pre-incubated with various c...	-
N-acylethanolamine-hydrolyzing acid amidase	IC50	=	18.0	nM	7.75	Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoyletha...	23991897
N-acylethanolamine-hydrolyzing acid amidase	IC50	=	29.0	nM	7.54	Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoyletha...	23991897
N-acylethanolamine-hydrolyzing acid amidase	IC50	=	30.0	nM	7.52	Enzymatic Assay: Lysosomal NAAA protein preparation were obtained by homogenizin...	-
N-acylethanolamine-hydrolyzing acid amidase	IC50	=	5100.0	nM	5.29	Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoyletha...	23991897

PubMed	DOI	Target Context	# Activities
23991897	10.1021/jm400739u	N-acylethanolamine-hydrolyzing acid amidase	3

Data from ChEMBL 36 via Core Engine