Structure

InChI Key XHKXWINHANRSNT-NRFANRHFSA-N
Smiles C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1
InChI
InChI=1S/C25H32N2O2/c1-21(26-16-18-29-19-17-26)20-25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32N2O2
Molecular Weight 392.54
AlogP 3.71
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 32.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Bioactivity

Mechanism of Action Action Reference
Opioid receptors; mu/kappa/delta agonist AGONIST PubMed PubMed
Protein: Opioid receptors; mu/kappa/delta

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038
Protein: Opioid receptors; mu/kappa/delta

Description: Delta-type opioid receptor

Organism : Homo sapiens

P41143 ENSG00000116329
Protein: Opioid receptors; mu/kappa/delta

Description: Kappa-type opioid receptor

Organism : Homo sapiens

P41145 ENSG00000082556

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3833389
FDA SRS 9S4S6CIY83
PubChem 92943