Structure

InChI Key GBKONKCASNNUQD-VGHSCWAPSA-N
Smiles CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.O.O=S(=O)(O)c1ccc2ccccc2c1
InChI
InChI=1S/C22H29NO2.C10H8O3S.H2O/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13);1H2/t18-,22+;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H39NO6S
Molecular Weight 565.73
AlogP 4.28
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST PubMed DailyMed

Target Conservation

Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038

Cross References

Resources Reference
ChEBI 51179
ChEMBL CHEMBL3989716
FDA SRS 38M219L1OJ
PubChem 33544
SureChEMBL SCHEMBL41620