ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1595
CHEMBL1595
Compound Name DIHYDROCODEINE
ChEMBL Synonyms DF 118 | DROCODE | DIHYDRONEOPINE | DIHYDROCODEINE BITARTRATE | DIHYDROCODEINE | DIHYDROCODEINE PHOSPHATE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C18H23NO3

Additional synonyms for CHEMBL1595 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
Standard InChI InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14( ...
Download InChI
Standard InChI Key RBOXVHNMENFORY-DNJOTXNNSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1595

Molecule Features

CHEMBL1595 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:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain4ATC
ATC

Clinical Data

ClinicalTrials.gov DIHYDROCODEINE
The Cochrane Collaboration DIHYDROCODEINE

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 CHEMBL1595. 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
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.524
CHEMBL287 Sigma opioid receptor Homo sapiens 0.497



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
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 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
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.992
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.947
CHEMBL287 Sigma opioid receptor Homo sapiens 0.806
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.309
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.215

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
301.4 301.1678 1.73 1 41.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.43 .61 -.52 1 22 0.86

Structural Alerts

There are no structural alerts for CHEMBL1595

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AA - Natural opium alkaloids
N02AA08 - dihydrocodeine

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AA - Natural opium alkaloids
N02AA58 - dihydrocodeine, combinations

ChemSpider ChemSpider:RBOXVHNMENFORY-DNJOTXNNSA-N
DailyMed dihydrocodeine bitartrate
Wikipedia Dihydrocodeine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1595



ACToR 125-28-0
ChEBI 135276
DrugBank DB01551
DrugCentral 886
EPA CompTox Dashboard DTXSID5022936
FDA SRS N9I9HDB855
Guide to Pharmacology 7594
IBM Patent System 222DB22560AAF45AE42368C5C066539C
Metabolights MTBLC135276
Nikkaji J5.368F
PubChem 5284543
PubChem: Thomson Pharma 14751770 14922962
SureChEMBL SCHEMBL24607
ZINC ZINC000004215736

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