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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104790
CHEMBL2104790
Compound Name MEPHENOXALONE
ChEMBL Synonyms MEPHENOXALONE | LENETRAN
Max Phase 0
Trade Names
Molecular Formula C11H13NO4

Additional synonyms for CHEMBL2104790 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1OCC2CNC(=O)O2
Standard InChI InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16 ...
Download InChI
Standard InChI Key ZMNSRFNUONFLSP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2104790

Molecule Features

CHEMBL2104790 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 MEPHENOXALONE
The Cochrane Collaboration MEPHENOXALONE

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
223.2 223.0845 1.18 4 56.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.24 - -.52 -.52 1 16 0.83

Structural Alerts

There are no structural alerts for CHEMBL2104790

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BX - Other anxiolytics
N05BX01 - mephenoxalone

ChemSpider ChemSpider:ZMNSRFNUONFLSP-UHFFFAOYSA-N
PubChem SID: 144206700 SID: 170466491

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104790



ACToR 70-07-5
ChEBI 134916
DrugCentral 1693
eMolecules 3716044
EPA CompTox Dashboard DTXSID9023255
IBM Patent System F49D9167535591664D057CB86B636689
Nikkaji J4.872K
PubChem 6257
PubChem: Thomson Pharma 14773628
SureChEMBL SCHEMBL5392

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