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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1626223
CHEMBL1626223
Compound Name PYRANTEL
ChEMBL Synonyms CP-10,423-18 | BANMINTH | Pyrantel Embonate | ANTIMINTH | PYRANTEL | PYRANTEL TARTRATE | COMBANTRIN | CP-10,423-16 | PYRANTEL PAMOATE
Max Phase 0
Trade Names
Molecular Formula C11H14N2S

Additional synonyms for CHEMBL1626223 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCCN=C1\C=C\c2cccs2
Standard InChI InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h ...
Download InChI
Standard InChI Key YSAUAVHXTIETRK-AATRIKPKSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1626223

Molecule Features

CHEMBL1626223 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 PYRANTEL
The Cochrane Collaboration PYRANTEL

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 CHEMBL1626223. 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
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.936
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.544
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.458
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.366
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.354
CHEMBL2392 DNA polymerase beta Homo sapiens 0.281
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.278
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.261
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.259
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.211
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.209
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.204



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.886
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.847
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.791
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.681
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.662
CHEMBL5514 Huntingtin Homo sapiens 0.380
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.377
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.312
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.250
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.250
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.246
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.245
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.234
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.228
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.224
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.201
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
206.3 206.0878 2.5 2 15.6 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
- 12.6 2.08 .08 1 14 0.73

Structural Alerts

There are no structural alerts for CHEMBL1626223

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02C - ANTINEMATODAL AGENTS
P02CC - Tetrahydropyrimidine derivatives
P02CC01 - pyrantel

ChemSpider ChemSpider:YSAUAVHXTIETRK-AATRIKPKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1626223



ACToR 15686-83-6
ChEBI 8654
DrugBank DB11156
DrugCentral 2999
EPA CompTox Dashboard DTXSID5023538
FDA SRS 4QIH0N49E7
KEGG Ligand C07409
LINCS LSM-43219
MolPort MolPort-002-707-681
Nikkaji J312.547E J15.629I
PubChem 708857
PubChem: Thomson Pharma 15195652
SureChEMBL SCHEMBL164730
ZINC ZINC000000097996

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