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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1240977
CHEMBL1240977
Compound Name OXANTEL
ChEMBL Synonyms OXANTEL
Max Phase 0
Trade Names
Molecular Formula C13H16N2O

Additional synonyms for CHEMBL1240977 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCCN=C1\C=C\c2cccc(O)c2
Standard InChI InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)1 ...
Download InChI
Standard InChI Key VRYKTHBAWRESFI-VOTSOKGWSA-N

Sources

  • Scientific Literature
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1240977

Molecule Features

CHEMBL1240977 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov OXANTEL
The Cochrane Collaboration OXANTEL

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 CHEMBL1240977. 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
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.976
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.659
CHEMBL2047 Bile acid receptor FXR Homo sapiens 0.486
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.482
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 0.481

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 0.888
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.812
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.725
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.546
CHEMBL1951 Monoamine oxidase A Homo sapiens 0.414
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.375
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.332
CHEMBL3959 Quinone reductase 2 Homo sapiens 0.223
CHEMBL2039 Monoamine oxidase B Homo sapiens 0.208

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
216.3 216.1263 1.61 2 35.83 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.42 13.17 1.87 -.14 1 16 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL1240977. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02C - ANTINEMATODAL AGENTS
P02CC - Tetrahydropyrimidine derivatives
P02CC02 - oxantel

ChemSpider ChemSpider:VRYKTHBAWRESFI-VOTSOKGWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1240977



ACToR 36531-26-7
ChEBI 135610
DrugCentral 4005
eMolecules 25691735
FDA SRS 94AJJ30D9E
Nikkaji J17.731H
PubChem 5281087
PubChem: Thomson Pharma 14749002
SureChEMBL SCHEMBL43905
ZINC ZINC000100025503

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