tiagabine

Ligand id: 4818

Name: tiagabine

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: tiagabine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 97.02
Molecular weight 375.13
XLogP 4.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
IUPAC Name
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid
International Nonproprietary Names
INN number INN
6306 tiagabine
Synonyms
ABBOTT-70569 | ABT-569 | Gabitril® | tiagabine hydrochloride
Database Links
CAS Registry No. 115103-54-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1027
DrugBank Ligand DB00906
GtoPdb PubChem SID 178101520
PubChem CID 60648
Search Google for chemical match using the InChIKey PBJUNZJWGZTSKL-MRXNPFEDSA-N
Search Google for chemicals with the same backbone PBJUNZJWGZTSKL
Search PubMed clinical trials tiagabine
Search PubMed titles tiagabine
Search PubMed titles/abstracts tiagabine
Search UniChem for chemical match using the InChIKey PBJUNZJWGZTSKL-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone PBJUNZJWGZTSKL
Wikipedia Tiagabine
Comments
Tiagabine is classified as a GABA reuptake inhibitor (GRI) as it blocks the GABA transporter 1 (GAT-1; gene symbol SLC6A1).