Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2419830

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2419830
Phase Preclinical
Structure Type MOL
InChI Key YPQGDZVBLUCGIC-GXTWGEPZSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.17
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27NO4
MW 297.39
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.71

Activity Summary

IC50 6 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL4349
 IC50 8.3 8.3 5.0 2
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL2034805
 IC50 7.89 7.8425 13.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acylethanolamine-hydrolyzing acid amidase IC50 = 5.0 nM 8.3 Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expre... 23991897
N-acylethanolamine-hydrolyzing acid amidase IC50 = 5.0 nM 8.3 UPLC/MS Assay: NAAA protein preparation (10 ug) was pre-incubated with various c... -
N-acylethanolamine-hydrolyzing acid amidase IC50 = 13.0 nM 7.89 Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoyletha... 23991897
N-acylethanolamine-hydrolyzing acid amidase IC50 = 13.0 nM 7.89 Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolys... 25380517
N-acylethanolamine-hydrolyzing acid amidase IC50 = 16.0 nM 7.8 Enzymatic Assay: Lysosomal NAAA protein preparation were obtained by homogenizin... -
N-acylethanolamine-hydrolyzing acid amidase IC50 = 16.22 nM 7.79 Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolys... 25380517

Literature References

PubMed DOI Target Context # Activities
23991897 10.1021/jm400739u N-acylethanolamine-hydrolyzing acid amidase 2
25380517 10.1021/jm501455s N-acylethanolamine-hydrolyzing acid amidase 2
23991897 10.1021/jm400739u Unchecked 1
23991897 10.1021/jm400739u Acid ceramidase 1
23991897 10.1021/jm400739u Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine