OXYCODONE

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Synonyms
Status
Molecule Category Free-form
ATC N02AA05
UNII CD35PMG570
EPA CompTox DTXSID5023407

Structure

InChI Key BRUQQQPBMZOVGD-XFKAJCMBSA-N
Smiles COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314
InChI
InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21NO4
Molecular Weight 315.37
AlogP 1.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 59.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 80
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
17-500 - - 8.9-487 47-97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 325 -
Electrophorus electricus
- - - - 80
Homo sapiens
17-500 - - 12-12 47-93
Mus musculus
160 - - - 51-97
Rattus norvegicus
25-51 - - 8.9-487 -

Target Conservation

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

Environmental Exposure

Environmental Exposure Map
Countries
Czech Republic
Germany
Serbia
Slovenia
USA

Cross References

Resources Reference
ChEBI 7852
ChEMBL CHEMBL656
DrugBank DB00497
DrugCentral 2029
FDA SRS CD35PMG570
Human Metabolome Database HMDB0014640
Guide to Pharmacology 7093
KEGG C08018
PharmGKB PA450741
SureChEMBL SCHEMBL2737
ZINC ZINC000000403533
CONTENTS