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Compound Detail

CHEMBL66248

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CCCCC(=O)NCCc1cc(OC)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL66248
Phase Preclinical
Structure Type MOL
InChI Key OGCYYSREHZXUMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
2.55
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.79
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 C15H23NO3
MW 265.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
7783136 10.1021/jm00012a004 Melatonin receptor 1

Data from ChEMBL 36 via Core Engine