OXYCODONE

Search structure
Synonyms:
Status: Approved (1950)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N02AA05
UNII: CD35PMG570

Structure
InChI Key BRUQQQPBMZOVGD-XFKAJCMBSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 76200 - - 80
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
17-500 - - 12-133.48 47
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 2003780 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Substance-Related Disorders 4 D019966 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Restless Legs Syndrome 3 D012148 ClinicalTrials
Joint Diseases 3 D007592 ClinicalTrials
Osteoarthritis, Knee 3 D020370 ClinicalTrials
Low Back Pain 3 D017116 ClinicalTrials
Pruritus 3 D011537 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Hypospadias 3 D007021 ClinicalTrials
Osteoarthritis, Hip 3 D015207 ClinicalTrials
Genital Neoplasms, Female 3 D005833 ClinicalTrials
Osteoarthritis 3 D010003 ClinicalTrials
Parkinson Disease 3 D010300 ClinicalTrials
Cancer Pain 3 D000072716 ClinicalTrials
Kidney Calculi 3 D007669 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Neck Pain 3 D019547 ClinicalTrials
Pre-Eclampsia 2 D011225 ClinicalTrials
Nutrition Disorders 2 D009748 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Spinal Cord Injuries 2 D013119 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Sinusitis 2 D012852 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Toothache 2 D014098 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Respiratory Insufficiency 1 D012131 ClinicalTrials
Intervertebral Disc Degeneration 1 D055959 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 7852
ChEMBL CHEMBL656
DrugBank DB00497
DrugCentral 2029
EPA CompTox DTXSID5023407
FDA SRS CD35PMG570
Human Metabolome Database HMDB14640
Guide to Pharmacology 7093
KEGG C08018
PDB OOX
PharmGKB PA450741
PubChem 5284603
SureChEMBL SCHEMBL2737
ZINC ZINC000000403533
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