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Compound Detail

CHEMBL54202

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CCCCC(=O)NCCCc1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54202
Phase Preclinical
Structure Type MOL
InChI Key LOTQRBUCMKUTQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
2.93
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.72
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 C15H23NO2
MW 249.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
8627603 10.1021/jm9508189 Melatonin receptor 1

Data from ChEMBL 36 via Core Engine