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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1877495
CHEMBL1877495
Compound Name BENMOXIN
ChEMBL Synonyms BENMOXIN | MEBAMOXINE
Max Phase 0
Trade Names
Molecular Formula C15H16N2O

Additional synonyms for CHEMBL1877495 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(NNC(=O)c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6 ...
Download InChI
Standard InChI Key BEWNZPMDJIGBED-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1877495

Molecule Features

CHEMBL1877495 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov BENMOXIN
The Cochrane Collaboration BENMOXIN

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
240.3 240.1263 2.68 4 41.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.29 2.28 2.48 2.48 2 18 0.81

Structural Alerts

There are 6 structural alerts for CHEMBL1877495. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BEWNZPMDJIGBED-UHFFFAOYSA-N
PubChem SID: 144205441 SID: 29216229

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1877495



ACToR 10019-95-1 7654-03-7
ChEBI 134978
DrugBank DB09246
DrugCentral 3681
eMolecules 617094
EPA CompTox Dashboard DTXSID0046220
IBM Patent System 4B2DC07EAA15DF9D61D3A7F5847DE826
Mcule MCULE-9257050940
Nikkaji J8.957E
PubChem 71671
PubChem: Thomson Pharma 15044445
SureChEMBL SCHEMBL54431

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