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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL93836
CHEMBL93836
Compound Name VALPROMIDE
ChEMBL Synonyms VALPROMIDE
Max Phase 0
Trade Names
Molecular Formula C8H17NO

Additional synonyms for CHEMBL93836 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(CCC)C(=O)N
Standard InChI InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9 ...
Download InChI
Standard InChI Key OMOMUFTZPTXCHP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL93836

Molecule Features

CHEMBL93836 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
EpilepsyD004827EFO:0000474epilepsy0ATC

Clinical Data

ClinicalTrials.gov VALPROMIDE
The Cochrane Collaboration VALPROMIDE

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 1.69 5 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
- - 2.04 2.04 0 10 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL93836. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AG - Fatty acid derivatives
N03AG02 - valpromide

ChemSpider ChemSpider:OMOMUFTZPTXCHP-UHFFFAOYSA-N
PubChem SID: 144206685
Wikipedia Valpromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL93836



ACToR 2430-27-5
Brenda 11511
ChEBI 74562
DrugBank DB04165
DrugCentral 2804
eMolecules 889568
EPA CompTox Dashboard DTXSID1023734
FDA SRS RUA6CWU76G
IBM Patent System 018D40D94F075E1896DE214B8DC15256
Mcule MCULE-7316825141
Metabolights MTBLC74562
MolPort MolPort-006-114-047
Nikkaji J7.891C
PDBe VPR
PubChem 71113
PubChem: Thomson Pharma 15194635
SureChEMBL SCHEMBL35392
ZINC ZINC000000002238

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