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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1673148
CHEMBL1673148
Compound Name BEPHENIUM HYDROXYNAPHTHOATE
ChEMBL Synonyms ALCOPAR | BEPHENIUM EMBONATE | BEPHENE OXINAPHTOATE | BEPHENIUM HYDROXYNAPHTHOATE
Max Phase 4 (Approved)
Trade Names ALCOPAR
Molecular Formula C28H29NO4

Additional synonyms for CHEMBL1673148 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+](C)(CCOc1ccccc1)Cc2ccccc2.Oc3cc4ccccc4cc3C(=O)[O-]
Standard InChI InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14- ...
Download InChI
Standard InChI Key PMPQCPQAHTXCDK-UHFFFAOYSA-M

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1673148

Molecule Features

CHEMBL1673148 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov BEPHENIUM HYDROXYNAPHTHOATE
The Cochrane Collaboration BEPHENIUM HYDROXYNAPHTHOATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
443.5 443.2097 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1673148

Compound Cross References

ChemSpider ChemSpider:PMPQCPQAHTXCDK-UHFFFAOYSA-M
Wikipedia Bephenium_hydroxynaphthoate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1673148



ACToR 3818-50-6
eMolecules 31259917
EPA CompTox Dashboard DTXSID8022662
FDA SRS 47RU9546DX
MolPort MolPort-006-115-725
PubChem 54678490
PubChem: Thomson Pharma 15477873
SureChEMBL SCHEMBL466996

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