OXYCODONE


Synonyms	(-)-14-hydroxydihydrocodeinone 14-hydroxydihydrocodeinone Dihydrone IDS-NO-002 N02AA05 NSC-19043 Oxicone Oxycodone Oxycodone cii Oxycontin Oxymorphone 3-methyl ether PF-00345439 PTI-821 Pavinal Proladone
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


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).