Structure

InChI Key XHILEZUETWRSHC-NRGUFEMZSA-N
Smiles CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.Cl
InChI
InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,16,19H,3,5-8H2,1H3;1H/t10-,11+,16-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO3
Molecular Weight 321.8
AlogP 1.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
1 - - - -

Target Conservation

Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038

Cross References

Resources Reference
ChEBI 5791
ChEMBL CHEMBL1237055
FDA SRS L960UP2KRW
Guide to Pharmacology 7082
KEGG C07042
PubChem 5462347
SureChEMBL SCHEMBL30521
ZINC ZINC00402954