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Compound Detail

CHEMBL433

VALPROATE SODIUM
💊 Approved Drug
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💊 Approved Drug
CCCC(CCC)C(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433
Name VALPROATE SODIUM
Phase Approved
Structure Type MOL
InChI Key AEQFSUDEHCCHBT-UHFFFAOYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL109
Active Moiety CHEMBL109

Known Names

A-44090 ABBOTT 44090 ABBOTT-44090 Delepsine Depacon Depakine Epilim Epilim 200 Epilim 500 Epilim chrono 200 Epilim chrono 300 Epilim chrono 500 +17 more
1
Targets
4
Activities
1
Assay Types
30
PK Parameters
20
Publications
29
Known Names
15
Indications
1
Mechanisms

Molecular Properties

144.2
MW (Da)
2.29
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1996
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Flags

Black Box Warning Natural Product
USAN Year 1975

Extended Properties

Molecular Formula C8H15NaO2
MW 166.20
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.38

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Succinate semialdehyde dehydrogenase inhibitor INHIBITOR Succinate-semialdehyde dehydrogenase, mitochondrial ✓ ✓

Indications

Epilepsy Amyotrophic Lateral Sclerosis Migraine Disorders Bipolar Disorder Glycogen Storage Disease Type V Ischemic Stroke Myelodysplastic Syndromes Neuralgia Neuralgia Rubinstein-Taybi Syndrome Status Epilepticus Wolfram Syndrome Hemophilia A Seizures Alopecia Areata

Drug Warnings

Black Box Warning
hepatotoxicity
Country: United States
Black Box Warning
teratogenicity
Country: United States
Black Box Warning
gastrointestinal toxicity
Country: United States

Activity Summary

IC50 4 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aldo-keto reductase family 1 member A1
CHEMBL4049
 IC50 4.05 4.05 89000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 1214000.0 ng.hr.mL-1 Homo sapiens
AUC 785000.0 ng.hr.mL-1 Homo sapiens
AUC 807000.0 ng.hr.mL-1 Homo sapiens
AUC 749000.0 ng.hr.mL-1 Homo sapiens
AUC 771000.0 ng.hr.mL-1 Homo sapiens
AUC 2124000.0 ng.hr.mL-1 Homo sapiens
CL 0.0064 L/Kg.hr Homo sapiens
CL 1.0 L/hr Homo sapiens
CL 0.54 L/hr Homo sapiens
Cmax 497885.03 nM Homo sapiens
Cmax 745440.68 nM Homo sapiens
F 96.0 % Homo sapiens
Fu 0.067 - Homo sapiens
Fu - - Homo sapiens
Fu - - Homo sapiens
Fu - - Homo sapiens
Fu - - Homo sapiens
Fu 0.026 - Homo sapiens
Fu 0.037 - Homo sapiens
Fu 0.046 - Homo sapiens
Fu 0.059 - Homo sapiens
Fu 0.044 - Homo sapiens
Fu 0.04 - Homo sapiens
Fu 0.049 - Homo sapiens
Fu 0.049 - Homo sapiens
Fu 0.058 - Homo sapiens
Fu 0.042 - Homo sapiens
Fu 0.051 - Homo sapiens
Fu 0.052 - Homo sapiens
Fu 0.04 - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aldo-keto reductase family 1 member A1 IC50 = 89000.0 nM 4.05 Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values 1900532

Literature References

PubMed DOI Target Context # Activities
3921078 10.1002/bdd.2510060105 Serum 34
350251 10.1111/j.1365-2125.1978.tb01663.x Homo sapiens 27
3921078 10.1002/bdd.2510060105 Molecular identity unknown 19
23085104 10.1016/j.ejmech.2012.08.037 Mus musculus 18
336377 10.1007/bf00645133 Homo sapiens 13
336377 10.1007/bf00645133 Plasma 12
8035421 10.1021/jm00040a006 Mus musculus 8
31302446 10.1016/j.ejmech.2019.06.085 Mus musculus 8
22326394 10.1016/j.bmcl.2012.01.071 Mus musculus 8
336377 10.1007/bf00645133 ADMET 8
21167624 10.1016/j.ejmech.2010.11.030 Mus musculus 7
22082834 10.1016/j.ejmech.2011.10.038 Mus musculus 7
23676307 10.1016/j.ejmech.2013.04.019 Mus musculus 7
19795888 10.1021/jm9012054 Rattus norvegicus 6
20558061 10.1016/j.bmcl.2010.05.059 Mus musculus 6
- 10.1007/s00044-010-9362-x Mus musculus 6
- 10.1007/s00044-009-9188-6 Mus musculus 6
- 10.1007/s00044-011-9924-6 Mus musculus 6
19795888 10.1021/jm9012054 Mus musculus 6
2067001 10.1021/jm00111a053 Unchecked 6

Data from ChEMBL 36 via Core Engine