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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL963
CHEMBL963
Compound Name OXYMORPHONE
ChEMBL Synonyms NUMORPHAN | OXYMORPHONE | OXYMORPHONE HYDROCHLORIDE | OPANA ER | OPANA | Opana | Numorphan
Max Phase 4 (Approved)
Trade Names NUMORPHAN | OXYMORPHONE HYDROCHLORIDE | OPANA | OPANA ER
Molecular Formula C17H19NO4

Additional synonyms for CHEMBL963 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35
Standard InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(1 ...
Download InChI
Standard InChI Key UQCNKQCJZOAFTQ-ISWURRPUSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL963

Molecule Features

CHEMBL963 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Opioid receptors; mu/kappa/delta agonist Opioid receptors; mu/kappa/delta DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain4ClinicalTrials
DailyMed

Clinical Data

ClinicalTrials.gov OXYMORPHONE
The Cochrane Collaboration OXYMORPHONE

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 CHEMBL963. 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
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 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
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.992
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.390



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL1795167 Toll-like receptor 4 Mus musculus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 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
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.992
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.634
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.455

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
301.3 301.1314 0.75 0 70 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.17 7.58 1.15 .74 1 22 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL963. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UQCNKQCJZOAFTQ-ISWURRPUSA-N
DailyMed oxymorphone hydrochloride
Wikipedia Oxymorphone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL963



ACToR 76-41-5
BindingDB 50001707
Brenda 32942
ChEBI 7865
DrugBank DB01192
DrugCentral 2034
eMolecules 36762454
EPA CompTox Dashboard DTXSID5023409
FDA SRS 9VXA968E0C
Guide to Pharmacology 7094
Human Metabolome Database HMDB0015323
IBM Patent System AD3F73A513EC782DD44D2698EF1A0062
KEGG Ligand C08019
Metabolights MTBLC7865
Nikkaji J4.174B
PubChem 5284604
PubChem: Thomson Pharma 14751763 14898432
SureChEMBL SCHEMBL3571
ZINC ZINC000003875483

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