Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 3584484N8V

Structure

InChI Key FLQCEKVTYABVSH-UHFFFAOYSA-N
Smiles CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.O=P(O)(O)O
InChI
InChI=1S/C22H28N2O2.H3O4P/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18;1-5(2,3)4/h3-11H,2,12-17,23H2,1H3;(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31N2O6P
Molecular Weight 450.47
AlogP 3.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 55.56
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Kappa opioid receptor agonist AGONIST Expert PubMed

Target Conservation

Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038
Protein: Kappa opioid receptor

Description: Kappa-type opioid receptor

Organism : Homo sapiens

P41145 ENSG00000082556

Cross References

Resources Reference
ChEMBL CHEMBL1200543
FDA SRS 3584484N8V
PubChem 16051989
SureChEMBL SCHEMBL1237724