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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1454
CHEMBL1454
Compound Name LEVAMISOLE
ChEMBL Synonyms ERGAMISOL | R-12564 | R 12,564 | LEVAMISOLE HYDROCHLORIDE | LEVAMISOLE
Max Phase 4 (Approved)
Trade Names ERGAMISOL
Molecular Formula C11H12N2S

Additional synonyms for CHEMBL1454 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN2C[C@@H](N=C2S1)c3ccccc3
Standard InChI InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10 ...
Download InChI
Standard InChI Key HLFSDGLLUJUHTE-SNVBAGLBSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • GSK Malaria Screening
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • St Jude Leishmania Screening
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1454

Molecule Features

CHEMBL1454 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Nicotinic acetylcholine receptor alpha subunit agonist Nicotinic acetylcholine receptor alpha subunit PubMed PubMed

Clinical Data

ClinicalTrials.gov LEVAMISOLE
The Cochrane Collaboration LEVAMISOLE

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 CHEMBL1454. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.743

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
204.3 204.0721 2.29 1 40.9 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10 1.84 -.06 1 14 0.7

Structural Alerts

There are no structural alerts for CHEMBL1454

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02C - ANTINEMATODAL AGENTS
P02CE - Imidazothiazole derivatives
P02CE01 - levamisole

ChemSpider ChemSpider:HLFSDGLLUJUHTE-SNVBAGLBSA-N
PubChem SID: 90341409
Wikipedia Levamisole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1454



ACToR 14769-73-4
BindingDB 50241179
ChEBI 6432
DrugBank DB00848
DrugCentral 1561
eMolecules 29542986
EPA CompTox Dashboard DTXSID4023206
FDA SRS 2880D3468G
Guide to Pharmacology 7210
Human Metabolome Database HMDB14986
IBM Patent System E211EF47690EB3CA115194A4D17BE049
KEGG Ligand C07070
LINCS LSM-6655
Mcule MCULE-4392506462
Nikkaji J8.518I
PharmGKB PA450205
PubChem 26879
PubChem: Thomson Pharma 14748767 15171780
SureChEMBL SCHEMBL19227
ZINC ZINC000000119839

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