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Compound Detail

CHEMBL595243

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c1ccc(COc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595243
Phase Preclinical
Structure Type MOL
InChI Key HVQNVIUEYAHELP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.56
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O2
MW 347.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 2 1
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine