CHEBI:53289 - donepezil

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ChEBI Name donepezil
ChEBI ID CHEBI:53289
Definition Donepezil is a centrally acting reversible acetyl cholinesterase inhibitor. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H29NO3
Net Charge 0
Average Mass 379.49200
Monoisotopic Mass 379.215
InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
InChIKey ADEBPBSSDYVVLD-UHFFFAOYSA-N
SMILES [H]C1(CC2CCN(CC2)Cc2ccccc2)Cc2cc(OC)c(OC)cc2C1=O
Roles Classification
Biological Role(s): EC 3.1.1.8 (cholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
EC 3.1.1.7 (acetylcholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
Application(s): nootropic agent
Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration.
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ChEBI Ontology
Outgoing donepezil (CHEBI:53289) has parent hydride indene (CHEBI:37910)
donepezil (CHEBI:53289) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
donepezil (CHEBI:53289) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
donepezil (CHEBI:53289) has role nootropic agent (CHEBI:66980)
donepezil (CHEBI:53289) is a cyclic ketone (CHEBI:3992)
donepezil (CHEBI:53289) is a piperidines (CHEBI:26151)
Incoming donepezil hydrochloride (CHEBI:4696) has part donepezil (CHEBI:53289)
(R)-donepezil (CHEBI:53292) is a donepezil (CHEBI:53289)
(S)-donepezil (CHEBI:53290) is a donepezil (CHEBI:53289)
IUPAC Name
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one
INNs Sources
donepezil ChemIDplus
donépézil WHO MedNet
donepezilo WHO MedNet
donepezilum WHO MedNet
Manual Xrefs Databases
946 DrugCentral
D07869 KEGG DRUG
DB00843 DrugBank
Donepezil Wikipedia
LSM-1598 LINCS
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Registry Numbers Types Sources
120014-06-4 CAS Registry Number KEGG DRUG
120014-06-4 CAS Registry Number DrugBank
120014-06-4 CAS Registry Number ChemIDplus
7081955 Reaxys Registry Number Reaxys
7081955 Beilstein Registry Number Beilstein
Last Modified
22 February 2017