VIGABATRIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N03AG04
UNII GR120KRT6K
EPA CompTox DTXSID4041153

Structure

InChI Key PJDFLNIOAUIZSL-UHFFFAOYSA-N
Smiles C=CC(N)CCC(=O)O
InChI
InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NO2
Molecular Weight 129.16
AlogP 0.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Mechanism of Action Action Reference
Gamma-amino-N-butyrate transaminase inhibitor INHIBITOR FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 78.69-94.41
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 78.69-94.41

Cross References

Resources Reference
ChEBI 63638
ChEMBL CHEMBL89598
DrugBank DB01080
DrugCentral 2819
FDA SRS GR120KRT6K
Human Metabolome Database HMDB0015212
Guide to Pharmacology 4821
KEGG C07500
PharmGKB PA10231
PubChem 5665
SureChEMBL SCHEMBL26714
ZINC ZINC00403618
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