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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL314437
CHEMBL314437
Compound Name MEPTAZINOL
ChEMBL Synonyms WY 22811 HCL | MEPTID | MEPTAZINOL | IL 22811 HCL | MEPTAZINOL HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names MEPTID
Molecular Formula C15H23NO

Additional synonyms for CHEMBL314437 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(CCCCN(C)C1)c2cccc(O)c2
Standard InChI InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17 ...
Download InChI
Standard InChI Key JLICHNCFTLFZJN-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL314437

Molecule Features

CHEMBL314437 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

Indications

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

Clinical Data

ClinicalTrials.gov MEPTAZINOL
The Cochrane Collaboration MEPTAZINOL

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 CHEMBL314437. 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
CHEMBL2528 Butyrylcholinesterase Mus musculus 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
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.999
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.998
CHEMBL237 Kappa opioid receptor Homo sapiens 0.996
CHEMBL242 Estrogen receptor beta Homo sapiens 0.995
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.860
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.813
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.786
CHEMBL222 Norepinephrine transporter Homo sapiens 0.721
CHEMBL3198 Acetylcholinesterase Mus musculus 0.657
CHEMBL287 Sigma opioid receptor Homo sapiens 0.582
CHEMBL228 Serotonin transporter Homo sapiens 0.338
CHEMBL238 Dopamine transporter Homo sapiens 0.327



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2528 Butyrylcholinesterase Mus musculus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.999
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.997
CHEMBL237 Kappa opioid receptor Homo sapiens 0.997
CHEMBL242 Estrogen receptor beta Homo sapiens 0.994
CHEMBL222 Norepinephrine transporter Homo sapiens 0.976
CHEMBL228 Serotonin transporter Homo sapiens 0.967
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.930
CHEMBL3198 Acetylcholinesterase Mus musculus 0.868
CHEMBL287 Sigma opioid receptor Homo sapiens 0.854
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.788
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.771
CHEMBL4329 Kappa opioid receptor Mus musculus 0.761
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.395
CHEMBL238 Dopamine transporter Homo sapiens 0.351
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.339
CHEMBL2858 Mu opioid receptor Mus musculus 0.304

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
233.4 233.178 3.16 2 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
9.95 9.53 3.4 1.31 1 17 0.85

Structural Alerts

There are no structural alerts for CHEMBL314437

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AX - Other opioids
N02AX05 - meptazinol

ChemSpider ChemSpider:JLICHNCFTLFZJN-UHFFFAOYSA-N
Wikipedia Meptazinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL314437



ACToR 54340-58-8
BindingDB 50373116
ChEBI 91484
DrugCentral 1706
EPA CompTox Dashboard DTXSID6048543
Guide to Pharmacology 9083
IBM Patent System FB5FB507E12D2C4EB8BEB1F421073B23
LINCS LSM-1252
MolPort MolPort-005-935-592
Nikkaji J12.372B
PubChem 41049
PubChem: Thomson Pharma 14847276
SureChEMBL SCHEMBL25404

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