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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL656
CHEMBL656
Compound Name OXYCODONE
ChEMBL Synonyms ROXYBOND | ZOMESTINE | OXAYDO | XTAMPZA ER | OxyContin | OXYCODONE | OXYCODONE HYDROCHLORIDE | LONGTEC | RELTEBON | OXECTA | CAREXIL | PROLADONE | OXICONE | OXYNORM | LEVERAXO | OXYCODONE TEREPHTHALATE | ABTARD | SHORTEC | ROXICODONE | DOLOCODON PR | CANDOX | OXYLAN | OXELTRA | LYNLOR | OXYCONTIN
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names CANDOX | DOLOCODON PR | ROXICODONE | SHORTEC | LYNLOR | OXELTRA | OXYLAN | ZOMESTINE | LEVERAXO | OXYNORM | ABTARD | LONGTEC | OXYCODONE HYDROCHLORIDE | PROLADONE | CAREXIL | OXECTA | RELTEBON | OXAYDO | OXYCONTIN | ROXYBOND | OxyContin | XTAMPZA ER
Molecular Formula C18H21NO4

Additional synonyms for CHEMBL656 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Standard InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-1 ...
Download InChI
Standard InChI Key BRUQQQPBMZOVGD-XFKAJCMBSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL656

Molecule Features

CHEMBL656 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Withdrawal Information

Year
Country United States
Reason
Class

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mu opioid receptor agonist Mu opioid receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma1ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis3ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease3ClinicalTrials
Pain, PostoperativeD0101494DailyMed
Joint DiseasesD007592EFO:1000999joint disease3ClinicalTrials
Kidney CalculiD007669EFO:0003845kidney stone3ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials
Osteoarthritis, KneeD020370EFO:0004616osteoarthritis, knee2ClinicalTrials
ClinicalTrials
Diabetic NeuropathiesD003929EFO:1000783diabetic neuropathy3ClinicalTrials
SinusitisD012852EFO:0007486sinusitis2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
PruritusD011537HP:0000989Pruritus3ClinicalTrials
Osteoarthritis, HipD015207EFO:1000786osteoarthritis, hip3ClinicalTrials
PainD010146EFO:0003843pain4ClinicalTrials
DailyMed
DailyMed
ATC
ClinicalTrials
Restless Legs SyndromeD012148EFO:0004270restless legs syndrome3ClinicalTrials

Clinical Data

ClinicalTrials.gov OXYCODONE
The Cochrane Collaboration OXYCODONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL656. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.922



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL1795167 Toll-like receptor 4 Mus musculus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.949
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.593
CHEMBL3638334 Opioid growth factor receptor-like protein 1 Homo sapiens 0.348

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
315.4 315.1471 1.05 1 59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.13 7.57 1.59 1.13 1 23 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL656. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AA - Natural opium alkaloids
N02AA05 - oxycodone

ChemSpider ChemSpider:BRUQQQPBMZOVGD-XFKAJCMBSA-N
DailyMed oxycodone oxycodone hydrochloride oxycodone terephthalate
Wikipedia Oxycodone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL656



ACToR 76-42-6
BindingDB 50370595
ChEBI 7852
DrugBank DB00497
DrugCentral 2029
EPA CompTox Dashboard DTXSID5023407
FDA SRS CD35PMG570
Guide to Pharmacology 7093
Human Metabolome Database HMDB0014640
IBM Patent System 2521FA6029C261B4B7B46C2EE4DD5061
KEGG Ligand C08018
Nikkaji J9.316E
PharmGKB PA450741
PubChem 5284603
PubChem: Thomson Pharma 16697449 14825887 85242752 14923583
SureChEMBL SCHEMBL2737
ZINC ZINC000000403533

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BRUQQQPBMZOVGD-XFKAJCMBSA-N spacer
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