pregabalin

Ligand id: 5484

Name: pregabalin

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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 5
Topological polar surface area 63.32
Molecular weight 159.13
XLogP 1.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2004))
IUPAC Name
(3S)-3-(aminomethyl)-5-methylhexanoic acid
International Nonproprietary Names
INN number INN
7643 pregabalin
Synonyms
(S)-pregabalin | CI 1008 | Lyrica® | Nervalin® | PD 144723
Database Links
CAS Registry No. 148553-50-8
ChEBI CHEBI:64356
ChEMBL Ligand CHEMBL1059
DrugBank Ligand DB00230
PubChem CID 5486971
Search Google for chemical match using the InChIKey AYXYPKUFHZROOJ-ZETCQYMHSA-N
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Search UniChem for chemical match using the InChIKey AYXYPKUFHZROOJ-ZETCQYMHSA-N
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Wikipedia Pregabalin
Comments
Pregabalin is a gabapentinoid class anti-seizure medication. Chemically, it is a 3-isobutyl derivative of the inhibitory neurotransmitter γ-aminobutyric acid (GABA), but it appears to function as a modulator of voltage-gated calcium channels, rather than a GABA receptor agonist.