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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1599768
CHEMBL1599768
Compound Name PYRANTEL PAMOATE
ChEMBL Synonyms CP-10,423-16 | ANTIMINTH | COMBANTRIN | PYRANTEL PAMOATE | Pyrantel Embonate
Max Phase 0
Trade Names
Molecular Formula C34H30N2O6S

Additional synonyms for CHEMBL1599768 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCCN=C1\C=C\c2cccs2.OC(=O)c3cc4ccccc4c(Cc5c(O)c(cc6ccccc5 ...
Download SMILES
Standard InChI InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18( ...
Download InChI
Standard InChI Key AQXXZDYPVDOQEE-MXDQRGINSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1599768

Molecule Features

CHEMBL1599768 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

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 CHEMBL1599768. 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 0.930
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.669
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.604
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.472
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.418
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.352
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.311
CHEMBL2392 DNA polymerase beta Homo sapiens 0.292
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.273
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.239



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.894
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.833
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.792
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.686
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.631
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.405
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.382
CHEMBL5514 Huntingtin Homo sapiens 0.380
CHEMBL5804 Toll-like receptor 9 Homo sapiens 0.285
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.277
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.273
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.241
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.237
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.232
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.222
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.205
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.202

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
206.3 206.0878 1.81 2 43.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 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 0.74

Structural Alerts

There are no structural alerts for CHEMBL1599768

Compound Cross References

ChemSpider ChemSpider:AQXXZDYPVDOQEE-MXDQRGINSA-N
PubChem SID: 26747776

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1599768



ACToR 122157-48-6 22204-24-6
ChEBI 8655
FDA SRS 81BK194Z5M
KEGG Ligand C07389
MolPort MolPort-003-666-276
PubChem 5281033
PubChem: Thomson Pharma 14789222
Selleck Pyrantel-pamoate(Pyrantel-embonate)
SureChEMBL SCHEMBL41025

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