NABILONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A04AD11
UNII 2N4O9L084N

Structure

InChI Key GECBBEABIDMGGL-UHFFFAOYSA-N
Smiles CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21
InChI
InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H36O3
Molecular Weight 372.55
AlogP 6.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Cannabinoid CB1 receptor agonist AGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
3.981-15.85 - - 3.981-6.31 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3.981-15.85 - - 3.981-6.31 -

Target Conservation

Protein: Cannabinoid CB1 receptor
Description: Cannabinoid receptor 1
Organism : Homo sapiens
P21554 ENSG00000118432

Related Entries

Cross References

Resources Reference
ChEBI 135574
ChEMBL CHEMBL2218896
DrugBank DB00486
DrugCentral 1862
FDA SRS 2N4O9L084N
Guide to Pharmacology 9071
KEGG D05099
PubChem 5284592
SureChEMBL SCHEMBL563809
ZINC ZINC01542930
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