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Compound Detail

CHEMBL199317

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C=CCCCCCCCCC(=O)NCCc1ccc(OC)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199317
Phase Preclinical
Structure Type MOL
InChI Key IJRBHDMRJJCVOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
4.67
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33NO3
MW 347.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
16213718 10.1016/j.bmcl.2005.09.023 Cannabinoid receptor 1 1
16213718 10.1016/j.bmcl.2005.09.023 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine