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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1457
CHEMBL1457
Compound Name HYDROCODONE
ChEMBL Synonyms Dicodid | HYDROCODONE BITARTRATE | ZOHYDRO ER | Mercodinone | DIHYDROCODEINONE BITARTRATE | VANTRELA ER | HYDROCODONE POLISTIREX | HYDROCODONE | HYSINGLA
Max Phase 4 (Approved)
Trade Names ZOHYDRO ER | Dicodid | Mercodinone | HYSINGLA | VANTRELA ER
Molecular Formula C18H21NO3

Additional synonyms for CHEMBL1457 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C
Standard InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14( ...
Download InChI
Standard InChI Key LLPOLZWFYMWNKH-CMKMFDCUSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1457

Molecule Features

CHEMBL1457 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

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CoughD003371HP:0012735Cough4ATC
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis3ClinicalTrials
Eye DiseasesD005128EFO:0003966eye disease2ClinicalTrials
Fractures, BoneD050723EFO:0003931bone fracture0ClinicalTrials
PainD010146EFO:0003843pain4DailyMed
DailyMed
ClinicalTrials

Clinical Data

ClinicalTrials.gov HYDROCODONE
The Cochrane Collaboration HYDROCODONE

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 CHEMBL1457. 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
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 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
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.235
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.211



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 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
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL1795167 Toll-like receptor 4 Mus musculus 0.994
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.980
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.977
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.542
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.394
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.255
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.228
CHEMBL287 Sigma opioid receptor Homo sapiens 0.212

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
299.4 299.1521 1.93 1 38.77 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.52 2.57 1.42 1 22 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL1457. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R05 - COUGH AND COLD PREPARATIONS
R05D - COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
R05DA - Opium alkaloids and derivatives
R05DA03 - hydrocodone

ChemSpider ChemSpider:LLPOLZWFYMWNKH-CMKMFDCUSA-N
DailyMed hydrocodone bitartrate
PubChem SID: 29215221
Wikipedia Hydrocodone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1457



ACToR 125-29-1 1037-91-8
BindingDB 50386689
Brenda 15784
ChEBI 5779
DrugBank DB00956
DrugCentral 1386
eMolecules 29539213
EPA CompTox Dashboard DTXSID8023131
FDA SRS 6YKS4Y3WQ7
Guide to Pharmacology 7081
Human Metabolome Database HMDB0015091
IBM Patent System C56F6AEF1B77933DE1F26FC10373C138
KEGG Ligand C08024
Nikkaji J5.369D
PharmGKB PA449900
PubChem 5284569
PubChem: Thomson Pharma 14922865 14922868
SureChEMBL SCHEMBL2987
ZINC ZINC000001280665

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