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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105613
CHEMBL2105613
Compound Name DIVALPROEX SODIUM
ChEMBL Synonyms DEPAKOTE | VALPROATE SEMISODIUM | DEPAKOTE ER | SEMISODIUM VALPROATE | DIVALPROEX SODIUM | DEPAKOTE CP | ABBOTT-50711
Max Phase 4 (Approved)
Trade Names DEPAKOTE | DEPAKOTE CP | DEPAKOTE ER | DIVALPROEX SODIUM
Molecular Formula C16H31NaO4

Additional synonyms for CHEMBL2105613 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-]
Standard InChI InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1- ...
Download InChI
Standard InChI Key MSRILKIQRXUYCT-UHFFFAOYSA-M

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • HeCaToS Compounds
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2105613

Molecule Features

CHEMBL2105613 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Succinate semialdehyde dehydrogenase inhibitor Succinate semialdehyde dehydrogenase PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DementiaD003704HP:0000726dementia1ClinicalTrials
ClinicalTrials
Epilepsy, AbsenceD0048324DailyMed
DailyMed
Autistic DisorderD001321EFO:0003758autism2ClinicalTrials
ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder4ClinicalTrials
ClinicalTrials
DailyMed
ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder3ClinicalTrials
ClinicalTrials
Mood DisordersD019964EFO:0004247mood disorder2ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia2ClinicalTrials
ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials
ClinicalTrials
ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy4ClinicalTrials
DailyMed
ClinicalTrials
ATC
ClinicalTrials
DailyMed
Epilepsy, Complex PartialD017029EFO:1000877complex partial epilepsy4DailyMed
DailyMed
Huntington DiseaseD006816Orphanet:399Huntington disease2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
ClinicalTrials
Scleroderma, SystemicD012595EFO:0000717systemic scleroderma1ClinicalTrials
SeizuresD012640HP:0001250Seizures3ClinicalTrials
ClinicalTrials
Stress Disorders, Post-TraumaticD013313EFO:0001358post-traumatic stress disorder3ClinicalTrials

Clinical Data

ClinicalTrials.gov DIVALPROEX SODIUM
The Cochrane Collaboration DIVALPROEX SODIUM

Metabolites for CHEMBL2105613

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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
144.2 144.115 2.29 5 37.3 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.82 - 2.58 .02 0 10 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL2105613. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MSRILKIQRXUYCT-UHFFFAOYSA-M
DailyMed divalproex sodium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105613



ACToR 76584-70-8
ChEBI 4667
ChemicalBook CB4149527
eMolecules 32278126
EPA CompTox Dashboard DTXSID70227388
FDA SRS 644VL95AO6
MolPort MolPort-006-167-562
PharmGKB PA164783479
PubChem 22227467 23663956
PubChem: Drugs of the Future 12013303
PubChem: Thomson Pharma 16653561
Selleck Divalproex-sodium
SureChEMBL SCHEMBL40996

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