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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201347
CHEMBL1201347
Compound Name ANILERIDINE
ChEMBL Synonyms ANILERIDINE | ANILERIDINE HYDROCHLORIDE | ANILERIDINE PHOSPHATE | LERITINE
Max Phase 4 (Approved)
Trade Names LERITINE
Molecular Formula C22H28N2O2

Additional synonyms for CHEMBL1201347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1(CCN(CCc2ccc(N)cc2)CC1)c3ccccc3
Standard InChI InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-2 ...
Download InChI
Standard InChI Key LKYQLAWMNBFNJT-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1201347

Molecule Features

CHEMBL1201347 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:Discontinued

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov ANILERIDINE
The Cochrane Collaboration ANILERIDINE

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 CHEMBL1201347. 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
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 1.000
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 1.000
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 1.000
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.997
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.985
CHEMBL240 HERG Homo sapiens 0.923
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.641
CHEMBL233 Mu opioid receptor Homo sapiens 0.572
CHEMBL236 Delta opioid receptor Homo sapiens 0.518
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.478



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 1.000
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 1.000
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 1.000
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.998
CHEMBL233 Mu opioid receptor Homo sapiens 0.937
CHEMBL240 HERG Homo sapiens 0.890
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.817
CHEMBL236 Delta opioid receptor Homo sapiens 0.674
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.651
CHEMBL338 Dopamine transporter Rattus norvegicus 0.620
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.445
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 0.381
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.350
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.338
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.263
CHEMBL228 Serotonin transporter Homo sapiens 0.226

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
352.5 352.2151 3.41 6 55.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.41 2.96 2 2 26 0.64

Structural Alerts

There are 6 structural alerts for CHEMBL1201347. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01A - ANESTHETICS, GENERAL
N01AH - Opioid anesthetics
N01AH05 - anileridine

ChemSpider ChemSpider:LKYQLAWMNBFNJT-UHFFFAOYSA-N
PubChem SID: 170465266
Wikipedia Anileridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201347



ACToR 144-14-9
ChEBI 61203
DrugBank DB00913
DrugCentral 220
EPA CompTox Dashboard DTXSID8022610
FDA SRS 71Q1A3O279
Guide to Pharmacology 7115
Human Metabolome Database HMDB0015049
IBM Patent System 7AF161559F21FA9E3A95817A2E489645
Nikkaji J5.827K
PharmGKB PA164768817
PubChem 8944
PubChem: Thomson Pharma 15051719
SureChEMBL SCHEMBL26333
ZINC ZINC000000608179

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