Details of the Drug

General Information of Drug (ID: DMOIFW0)

Drug Name
Aniracetam
Synonyms
aniracetam; 72432-10-1; Draganon; Sarpul; 1-(4-Methoxybenzoyl)-2-pyrrolidinone; Ampamet; 1-(4-methoxybenzoyl)pyrrolidin-2-one; 1-p-Anisoyl-2-pyrrolidinone; Ro 13-5057; Aniracetamun [INN-Latin]; Aniracetam [USAN:INN:JAN]; UNII-5L16LKN964; Ro 135057; BRN 4807205; Ro-13-5057; 1-p-anisoylpyrrolidin-2-one; 2-Pyrrolidinone, 1-(4-methoxybenzoyl)-; CHEMBL36994; MLS000079240; CHEBI:47943; 1-(p-Methoxybenzoyl)-2-pyrrolidinon [German]; ZXNRTKGTQJPIJK-UHFFFAOYSA-N; 5L16LKN964; NCGC00015116-10; SMR000038438
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 219.24
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 1 - 2.5 hours [2]
Chemical Identifiers
Formula
C12H13NO3
IUPAC Name
1-(4-methoxybenzoyl)pyrrolidin-2-one
Canonical SMILES
COC1=CC=C(C=C1)C(=O)N2CCCC2=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
InChIKey
ZXNRTKGTQJPIJK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2196
ChEBI ID
CHEBI:47943
CAS Number
72432-10-1
DrugBank ID
DB04599
TTD ID
D02DPU
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [3]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cocaine esterase (CES2) OTC647SQ EST2_HUMAN Biotransformations [4]
Liver carboxylesterase 1 (CES1) OT9L0LR8 EST1_HUMAN Biotransformations [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cerebrovascular ischaemia
ICD Disease Classification 8B1Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4133).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Anxiolytic effects of aniracetam in three different mouse models of anxiety and the underlying mechanism. Eur J Pharmacol. 2001 May 18;420(1):33-43.
4 Hydrolytic profile for ester- or amide-linkage by carboxylesterases pI 5.3 and 4.5 from human liver. Biol Pharm Bull. 1997 Aug;20(8):869-73. doi: 10.1248/bpb.20.869.