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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 BEPHENIUM EMBONATE | BEPHENE OXINAPHTOATE | BEPHENIUM HYDROXYNAPHTHOATE
Max Phase 4 (Approved)
Trade Names
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

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
- - - - - -


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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