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Compound Detail

CHEMBL200396

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CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc(N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200396
Phase Preclinical
Structure Type MOL
InChI Key XUVLWOMQFOJIDP-KTKRTIGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.7
MW (Da)
7.50
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H46N2O2
MW 442.69
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.63

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