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
SMILES / InChI / InChIKey
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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
InChI Key ZXNRTKGTQJPIJK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
1-[(4-methoxyphenyl)carbonyl]pyrrolidin-2-one
International Nonproprietary Names Click here for help
INN number INN
4902 aniracetam
Database Links Click here for help
CAS Registry No. 72432-10-1 (source: Scifinder)
ChEMBL Ligand CHEMBL36994
DrugBank Ligand DB04599
DrugCentral Ligand 221
GtoPdb PubChem SID 178100955
PubChem CID 2196
RCSB PDB Ligand 4MP
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Wikipedia Aniracetam

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Tocris
Aniracetam
Cat. No. 0867