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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200890
CHEMBL1200890
Compound Name OXYCODONE HYDROCHLORIDE
ChEMBL Synonyms CANDOX | CAREXIL | OXYCONTIN | OXYNORM | RELTEBON | LEVERAXO | LONGTEC | OXAYDO | SHORTEC | OXELTRA | OXYLAN | ZOMESTINE | OXYCODONE HYDROCHLORIDE | ROXYBOND | ROXICODONE | LYNLOR | OXECTA | ABTARD | DOLOCODON PR
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names ABTARD | CANDOX | CAREXIL | DOLOCODON PR | LEVERAXO | LONGTEC | LYNLOR | OXAYDO | OXECTA | OXELTRA | OXYCODONE HYDROCHLORIDE | OXYCONTIN | OXYLAN | OXYNORM | RELTEBON | ROXICODONE | ROXYBOND | SHORTEC | ZOMESTINE
Molecular Formula C18H22ClNO4

Additional synonyms for CHEMBL1200890 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL1200890

Molecule Features

CHEMBL1200890 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
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
ClinicalTrials
Pain, PostoperativeD0101494DailyMed
Osteoarthritis, KneeD020370EFO:0004616osteoarthritis, knee2ClinicalTrials
ClinicalTrials
Osteoarthritis, HipD015207EFO:1000786osteoarthritis, hip3ClinicalTrials
PainD010146EFO:0003843pain4ClinicalTrials
DailyMed
DailyMed
ATC
ClinicalTrials

Clinical Data

ClinicalTrials.gov OXYCODONE HYDROCHLORIDE
The Cochrane Collaboration OXYCODONE HYDROCHLORIDE

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 CHEMBL1200890. 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 CHEMBL1200890. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUZQPDBAOYKNLO-RKXJKUSZSA-N
DailyMed oxycodone hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200890



ACToR 124-90-3
ChEBI 7859
eMolecules 29935185 592975
FDA SRS C1ENJ2TE6C
KEGG Ligand C08026
PubChem 5462350 25137874
PubChem: Thomson Pharma 14900899 14876277
SureChEMBL SCHEMBL30095

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