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Compound Detail

CHEMBL518814

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CCOc1ccc(Cc2nc3cc(NC(C)=O)ccc3n2CC2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518814
Phase Preclinical
Structure Type MOL
InChI Key JBATWCPALJLYTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.39
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.68
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 C22H25N3O2
MW 363.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
18522867 10.1016/j.bmcl.2008.05.073 Cannabinoid receptor 2 2
18522867 10.1016/j.bmcl.2008.05.073 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine