Pregabalin
(3S)-3-(aminomethyl)-5-methylhexanoic acid
Molecular Identity
Pregabalin
(3S)-3-(aminomethyl)-5-methylhexanoic acid
PubChem CID: 5486971
Pregabalin is a gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues. It has a role as an anticonvulsant and a calcium channel blocker. It is functionally related to a gamma-aminobutyric acid.
2D Structure
Properties
C8H17NO2
Molecular Formula
159.23
Molecular Weight
g/mol
159.1259
Exact Mass
Da
-1.6
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
123
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pregabalin148553-50-8Lyrica(S)-3-(Aminomethyl)-5-methylhexanoic acid3-isobutyl GABA(3S)-3-(aminomethyl)-5-methylhexanoic acidCI-1008PregabalinePregabalinaVronogabicPregabalin mylanPregabalin sandozPregabalin zentiva(R-)-3-isobutyl GABAPD-144723
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pregabalin
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