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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1075733
CHEMBL1075733
Compound Name VALNOCTAMIDE
ChEMBL Synonyms AXIQUEL | VALNOCTAMIDE | MCN-X-181
Max Phase 3
Trade Names
Molecular Formula C8H17NO

Additional synonyms for CHEMBL1075733 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)C(CC)C(=O)N
Standard InChI InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2 ...
Download InChI
Standard InChI Key QRCJOCOSPZMDJY-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1075733

Molecule Features

CHEMBL1075733 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 VALNOCTAMIDE
The Cochrane Collaboration VALNOCTAMIDE

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
143.2 143.131 1.92 4 43.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.89 1.89 0 10 0.64

Structural Alerts

There are no structural alerts for CHEMBL1075733

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CM - Other hypnotics and sedatives
N05CM13 - valnoctamide

ChemSpider ChemSpider:QRCJOCOSPZMDJY-UHFFFAOYSA-N
Wikipedia Valnoctamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1075733



ACToR 4171-13-5
ChEBI 134767
DrugBank DB13099
DrugCentral 2802
eMolecules 730932
IBM Patent System 3B3031071438145F562EB90099C74D65
MolPort MolPort-003-850-829
Nikkaji J8.688F
PubChem 20140
PubChem: Thomson Pharma 15462023
SureChEMBL SCHEMBL387435

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