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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1712170
CHEMBL1712170
Compound Name ETHYLMORPHINE
ChEMBL Synonyms ETHYLMORPHINE HYDROCHLORIDE | ETHYLMORPHINE
Max Phase 0
Trade Names
Molecular Formula C19H23NO3

Additional synonyms for CHEMBL1712170 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
Standard InChI InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-1 ...
Download InChI
Standard InChI Key OGDVEMNWJVYAJL-LEPYJNQMSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1712170

Molecule Features

CHEMBL1712170 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CoughD003371HP:0012735Cough0ATC

Clinical Data

ClinicalTrials.gov ETHYLMORPHINE
The Cochrane Collaboration ETHYLMORPHINE

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 CHEMBL1712170. 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
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL236 Delta opioid receptor Homo sapiens 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
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.999

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
313.4 313.1678 1.89 2 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
13.4 8.24 1.9 .97 1 23 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL1712170. 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
R05DA01 - ethylmorphine

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01X - OTHER OPHTHALMOLOGICALS
S01XA - Other ophthalmologicals
S01XA06 - ethylmorphine

ChemSpider ChemSpider:OGDVEMNWJVYAJL-LEPYJNQMSA-N
PubChem SID: 144206163 SID: 50113064

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1712170



ACToR 76-58-4
Brenda 20266
ChEBI 4902
DrugBank DB01466
DrugCentral 3207
eMolecules 29535171
EPA CompTox Dashboard DTXSID1046760
FDA SRS RWO67D87EU
Human Metabolome Database HMDB0015509
IBM Patent System C19FEBE4EBE8F7600356052CF06CE2BA
KEGG Ligand C07537
Metabolights MTBLC4902
Nikkaji J4.179C
PubChem 5359271
SureChEMBL SCHEMBL24971
ZINC ZINC000003629718

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