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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607
CHEMBL607
Compound Name MEPERIDINE
ChEMBL Synonyms Meperidine | meperidine oxalate | DEMEROL | MEPERIDINE HYDROCHLORIDE PRESERVATIVE FREE | Pethidine | PETHIDINE | PETHILORFAN | Spasmodlin | PAMERGAN | MEPERIDINE HYDROCHLORIDE | PETHIDINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names MEPERIDINE HYDROCHLORIDE | PAMERGAN | Spasmodlin | PETHILORFAN | DEMEROL | MEPERIDINE HYDROCHLORIDE PRESERVATIVE FREE | Pethidine
Molecular Formula C15H21NO2

Additional synonyms for CHEMBL607 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1(CCN(C)CC1)c2ccccc2
Standard InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7- ...
Download InChI
Standard InChI Key XADCESSVHJOZHK-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL607

Molecule Features

CHEMBL607 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y 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
HypotensionD007022EFO:0005251hypotension2ClinicalTrials
PainD010146EFO:0003843pain4ATC
ATC
ATC
ClinicalTrials
ClinicalTrials
SciaticaD012585HP:0011868Sciatica3ClinicalTrials

Clinical Data

ClinicalTrials.gov MEPERIDINE
The Cochrane Collaboration MEPERIDINE

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 CHEMBL607. 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
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.976
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.958
CHEMBL287 Sigma opioid receptor Homo sapiens 0.958
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.953
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.871
CHEMBL228 Serotonin transporter Homo sapiens 0.829
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.821
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.806
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.769
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.713
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.692
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.674
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.661
CHEMBL2014 Nociceptin receptor Homo sapiens 0.659
CHEMBL233 Mu opioid receptor Homo sapiens 0.650
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.613
CHEMBL236 Delta opioid receptor Homo sapiens 0.492
CHEMBL313 Serotonin transporter Rattus norvegicus 0.492
CHEMBL4072 Cathepsin B Homo sapiens 0.491
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.463



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.990
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.987
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.978
CHEMBL6184 Transporter Rattus norvegicus 0.972
CHEMBL287 Sigma opioid receptor Homo sapiens 0.964
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.931
CHEMBL338 Dopamine transporter Rattus norvegicus 0.927
CHEMBL233 Mu opioid receptor Homo sapiens 0.927
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.922
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.918
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.909
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.908
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.897
CHEMBL228 Serotonin transporter Homo sapiens 0.815
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.696
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.630
CHEMBL4072 Cathepsin B Homo sapiens 0.606
CHEMBL236 Delta opioid receptor Homo sapiens 0.541
CHEMBL2014 Nociceptin receptor Homo sapiens 0.452
CHEMBL313 Serotonin transporter Rattus norvegicus 0.375

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
247.3 247.1572 2.21 3 29.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.84 2.19 1.61 1 18 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL607. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AB - Phenylpiperidine derivatives
N02AB52 - pethidine, combinations excl. psycholeptics

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AB - Phenylpiperidine derivatives
N02AB72 - pethidine, combinations with psycholeptics

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AB - Phenylpiperidine derivatives
N02AB02 - pethidine

ChemSpider ChemSpider:XADCESSVHJOZHK-UHFFFAOYSA-N
DailyMed meperidine hydrochloride
Wikipedia Pethidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607



ACToR 57-42-1
BindingDB 50026752
Brenda 5014 148401
ChEBI 6754
DrugBank DB00454
DrugCentral 1690
eMolecules 979212
EPA CompTox Dashboard DTXSID9023253
FDA SRS 9E338QE28F
Guide to Pharmacology 7221
Human Metabolome Database HMDB0014597
IBM Patent System BBDA88F72D9FE395C4315A4386FCF48B
KEGG Ligand C07128
Nikkaji J4.578K
PharmGKB PA450369
PubChem 4058
PubChem: Thomson Pharma 14823367
SureChEMBL SCHEMBL25431
ZINC ZINC000000001681

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