VALPROIC ACID

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N03AG01
UNII 614OI1Z5WI
EPA CompTox DTXSID6023733

Structure

InChI Key NIJJYAXOARWZEE-UHFFFAOYSA-N
Smiles CCCC(CCC)C(=O)O
InChI
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O2
Molecular Weight 144.21
AlogP 2.29
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Succinate semialdehyde dehydrogenase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - - - 65.2
Enzyme Transferase
- - - - 41-46
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- - - - 7.4
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- - - - 7.4
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 7.4
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- - - - 7.4
Membrane receptor
- - - - 81-93
Surface antigen
- - - - 81-93
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 9.6-61.9
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 19.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 7.4-93
Mus musculus
- - - - 15.7-42.2

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 39867
ChEMBL CHEMBL109
DrugBank DB00313
DrugCentral 2803
FDA SRS 614OI1Z5WI
Human Metabolome Database HMDB0001877
Guide to Pharmacology 7009
KEGG C07185
PDB 2PP
PharmGKB PA451846
PubChem 3121
SureChEMBL SCHEMBL2275
ZINC ZINC000003008621
CONTENTS