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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL433
CHEMBL433
Compound Name VALPROATE SODIUM
ChEMBL Synonyms ABBOTT 44090 | Depakote ER | EPILIM CHRONO 200 | EPILIM CHRONO 500 | KENTILIM | DEPACON | DEPAKINE | ABBOTT-44090 | EPILIM 200 | EPILIM 500 | EPILIM CHRONO 300 | ORFIRIL | EPILIM CHRONOSPHERE | A-44090 | EPILIM IV | VALPROATE SODIUM | SODIUM VALPROATE | Depakote | DELEPSINE | ORLEPT | EPISENTA | Depakote CP | EPILIM
Max Phase 4 (Approved)
Trade Names DELEPSINE | DEPACON | DEPAKINE | Depakote | Depakote CP | Depakote ER | EPILIM | EPILIM 200 | EPILIM 500 | EPILIM CHRONO 200 | EPILIM CHRONO 300 | EPILIM CHRONO 500 | EPILIM CHRONOSPHERE | EPILIM IV | EPISENTA | KENTILIM | ORFIRIL | ORLEPT | VALPROATE SODIUM
Molecular Formula C8H15NaO2

Additional synonyms for CHEMBL433 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CCCC(CCC)C(=O)[O-]
Standard InChI InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,( ...
Download InChI
Standard InChI Key AEQFSUDEHCCHBT-UHFFFAOYSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL433

Molecule Features

CHEMBL433 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y 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
AlcoholismD000437EFO:0003829alcohol dependence3ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme1ClinicalTrials
ClinicalTrials
Autistic DisorderD001321EFO:0003758autism3ClinicalTrials
ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder3ClinicalTrials
ClinicalTrials
DailyMed
ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma1ClinicalTrials
ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder3ClinicalTrials
ClinicalTrials
Rubinstein-Taybi SyndromeD012415Orphanet:783Rubinstein-Taybi syndrome2ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis3ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury1ClinicalTrials
ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease3ClinicalTrials
ClinicalTrials
ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy3ClinicalTrials
DailyMed
ClinicalTrials
ATC
ClinicalTrials
DailyMed
Glycogen Storage Disease Type VD006012Orphanet:368Glycogen storage disease due to muscle glycogen phosphorylase deficiency2ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia0ClinicalTrials
ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials
ClinicalTrials
EpendymomaD004806EFO:1000028ependymoma2ClinicalTrials
Psychomotor AgitationD0115953ClinicalTrials
SeizuresD012640HP:0001250Seizures1ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov VALPROATE SODIUM
The Cochrane Collaboration VALPROATE SODIUM

Metabolites for CHEMBL433

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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 CHEMBL433. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AEQFSUDEHCCHBT-UHFFFAOYSA-M
DailyMed valproate sodium
PubChem SID: 11112073 SID: 144212940 SID: 50106736 SID: 50112990 SID: 57264447 SID: 85231324
Wikipedia Sodium_valproate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL433



ACToR 1069-66-5
Brenda 107267
ChEBI 9925
ChemicalBook CB5666438
eMolecules 29914597 593571
EPA CompTox Dashboard DTXSID5037072
FDA SRS 5VOM6GYJ0D
MolPort MolPort-003-666-306
Nikkaji J7.236B
PubChem 16760703
PubChem: Thomson Pharma 14772519
Selleck Sodium-valproate
SureChEMBL SCHEMBL35027

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