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Compound Detail

CHEMBL2419816

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C[C@@H]1OC(=O)[C@@H]1N(C)C(=O)OCCCCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2419816
Phase Preclinical
Structure Type MOL
InChI Key CAYLRBLIBMYWAO-DZGCQCFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
2.78
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.57
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 C17H23NO4
MW 305.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.24

Literature References

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

Data from ChEMBL 36 via Core Engine