OLICERIDINE

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Synonyms
Status
Molecule Category Free-form
UNII MCN858TCP0

Structure

InChI Key DMNOVGJWPASQDL-OAQYLSRUSA-N
Smiles COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChI
InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30N2O2S
Molecular Weight 386.56
AlogP 4.69
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 43.38
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
1.8-50.12 - - 1.456-6 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1.8-50.12 - - 1.456-6 -

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038

Cross References

Resources Reference
ChEMBL CHEMBL2443262
DrugBank DB14881
FDA SRS MCN858TCP0
Guide to Pharmacology 7334
PubChem 66553195
SureChEMBL SCHEMBL12542370
ZINC ZINC000096940334
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