Structure

InChI Key FJQXCDYVZAHXNS-UHFFFAOYSA-N
Smiles CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChI
InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28ClNO
Molecular Weight 345.91
AlogP 4.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Bioactivity

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST DailyMed
Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038
Assay Description Organism Bioactivity Reference
Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting Rattus norvegicus 51.0 nM

Cross References

Resources Reference
ChEBI 50140
ChEMBL CHEMBL1200825
FDA SRS 229809935B
Guide to Pharmacology 5458
KEGG C07163
PubChem 14184
SureChEMBL SCHEMBL24293
ZINC ZINC01530707