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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL46399
CHEMBL46399
Compound Name PHENAZOCINE
ChEMBL Synonyms PHENAZOCINE | PHENAZOCINE HYDROBROMIDE | PHENETHYLAZOCINE BROMIDE | PRINADOL
Max Phase 4 (Approved)
Trade Names PRINADOL
Molecular Formula C22H27NO

Additional synonyms for CHEMBL46399 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc4ccccc4
Standard InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2) ...
Download InChI
Standard InChI Key ZQHYKVKNPWDQSL-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL46399

Molecule Features

CHEMBL46399 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov PHENAZOCINE
The Cochrane Collaboration PHENAZOCINE

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 CHEMBL46399. 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
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL2528 Butyrylcholinesterase Mus musculus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL4153 Sigma-1 receptor Cavia porcellus 1.000
CHEMBL220 Acetylcholinesterase Homo sapiens 0.991
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.975
CHEMBL3041 Mu opioid receptor Bos taurus 0.870



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL2528 Butyrylcholinesterase Mus musculus 1.000
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.999
CHEMBL220 Acetylcholinesterase Homo sapiens 0.994
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.955
CHEMBL3041 Mu opioid receptor Bos taurus 0.910

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
321.5 321.2093 4.81 3 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.1 9.34 4.59 2.67 2 24 0.88

Structural Alerts

There are no structural alerts for CHEMBL46399

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AD - Benzomorphan derivatives
N02AD02 - phenazocine

ChemSpider ChemSpider:ZQHYKVKNPWDQSL-UHFFFAOYSA-N
Wikipedia Phenazocine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL46399



ACToR 127-35-5
BindingDB 50027791
DrugCentral 2119
EPA CompTox Dashboard DTXSID90860736
IBM Patent System A098CFDEC494AE21B876DB2378FEE033
Nikkaji J5.392I
PubChem 14707
PubChem: Thomson Pharma 14752728
SureChEMBL SCHEMBL26733

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