vigabatrin

Ligand id: 4821

Name: vigabatrin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 63.32
Molecular weight 129.08
XLogP 0.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name
4-aminohex-5-enoic acid
International Nonproprietary Names
INN number INN
5581 vigabatrin
Synonyms
CPP-109 | MDL-71754 | Sabril®
Database Links
CAS Registry No. 68506-86-5 (source: Scifinder)
ChEBI CHEBI:63638
ChEMBL Ligand CHEMBL89598
DrugBank Ligand DB01080
PubChem CID 5665
Search Google for chemical match using the InChIKey PJDFLNIOAUIZSL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PJDFLNIOAUIZSL
Search PubMed clinical trials vigabatrin
Search PubMed titles vigabatrin
Search PubMed titles/abstracts vigabatrin
Search UniChem for chemical match using the InChIKey PJDFLNIOAUIZSL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PJDFLNIOAUIZSL
Wikipedia Vigabatrin
Comments
The approved drug vigabatrin is a mixture to two stereoisomers: an R(-)- form (see PubChem CID 157018) and an S(+)-form (see PubChem CID 10219440). Only the S(+)-form is pharmacologically active. The structure shown here does not specify stereochemistry and represents the mixture.