aniracetam   Click here for help

GtoPdb Ligand ID: 4133

Approved drug PDB Ligand
aniracetam is an approved drug
Compound class: Synthetic organic
Comment: Based on this compound's allosteric action on AMPA receptor activity [1] it was used as the structural basis for the development of novel potential ampakines. These compounds are being investigated as nootropics and neuroprotective drugs for the treatment of Alzheimer's disease (AD) and other neurodegenerative conditions (see patent US6730677).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 46.61
Molecular weight 219.09
XLogP 1.33
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1)C(=O)N1CCCC1=O
Isomeric SMILES COc1ccc(cc1)C(=O)N1CCCC1=O
InChI InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluA1 Hs Allosteric modulator Positive - - -
GluA2 Hs Allosteric modulator Positive - - -
GluA3 Hs Allosteric modulator Positive - - -
GluA4 Hs Allosteric modulator Positive - - -
Targets where the ligand is described in the comment field
Target Comment