Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII U0VSF7HTN0

Structure

InChI Key FWMLYVACGDQRFU-MBHUSPCXSA-N
Smiles C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18+,19+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H31NO7
Molecular Weight 433.5
AlogP 3.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Kappa opioid receptor partial agonist PARTIAL AGONIST PubMed Wikipedia

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 CHEMBL2062276
FDA SRS U0VSF7HTN0
Guide to Pharmacology 7209
KEGG C07069
PubChem 5464111
SureChEMBL SCHEMBL209270
ZINC ZINC03875992