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Compound Detail

CHEMBL2419810

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CCCCCCCC(C)OC(=O)N[C@H]1C(=O)O[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2419810
Phase Preclinical
Structure Type MOL
InChI Key ROFODRYNJKSNQS-GLXQMMQGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.78
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H25NO4
MW 271.36
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.12

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL2034805
 IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acylethanolamine-hydrolyzing acid amidase IC50 = 60.0 nM 7.22 Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoyletha... 23991897

Literature References

PubMed DOI Target Context # Activities
23991897 10.1021/jm400739u N-acylethanolamine-hydrolyzing acid amidase 1

Data from ChEMBL 36 via Core Engine