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Compound Detail

CHEMBL2419815

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C[C@@H]1OC(=O)[C@@H]1NC(=O)OC1CCC(Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL2419815
Phase Preclinical
Structure Type MOL
InChI Key QNWDMPXQYBUVNW-HOJRLLLISA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.83
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO4
MW 317.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.62

Activity Summary

IC50 2 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL2034805
IC50 6.51 6.51 310.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine