EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:234406 - AChE-IN-72

ChEBI IDCHEBI:234406
ChEBI NameAChE-IN-72
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC24H25N3O4
Net Charge0
Average Mass419.481
Monoisotopic Mass419.18451
SMILES[H]/C(C(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1)=C(/[H])c1ccc(O)c(OC)c1
InChIInChI=1S/C24H25N3O4/c1-31-22-15-17(4-7-20(22)28)5-9-23(30)27-13-11-26(12-14-27)16-18-6-8-21(29)24-19(18)3-2-10-25-24/h2-10,15,28-29H,11-14,16H2,1H3/b9-5+
InChIKeyUJBNEBCVKAXVMM-WEVVVXLNSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
AChE-IN-72 (CHEBI:234406) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
AChE-IN-72 (CHEBI:234406) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]prop-2-en-1-one
Citations