Ligand id: 5483

Name: gabapentin

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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 3
Topological polar surface area 63.32
Molecular weight 171.13
XLogP 1.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Gabapentin inhibits binding of [3H]gabapentin to the pig brain VGCC α2δ subunit with an IC50 of 50nM [5] and inhibits [3H]L-leucine interaction with the mouse homologue with an IC50 of 120nM [9]. Gabapentin has a Kd of 29nM at the α2δ subunit isolated from rat skeletal muscle [5]. However, we have been unable to find publicly available bioactivity data for this drug at its proposed human molecular target(s) to substantiate its MMOA, and have therefore not tagged a primary drug target.
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