EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:147347 - tilorone

Default Structure
ChEBI IDCHEBI:147347
ChEBI Nametilorone
Stars
DefinitionA member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective α7 nicotinic acetylcholine receptor (α7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug.
Secondary ChEBI IDCHEBI:109553
Last Modified10 May 2024
SubmitterAdnan
DownloadsMolfile
FormulaC25H34N2O3
Net Charge0
Average Mass410.558
Monoisotopic Mass410.25694
SMILESCCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyMPMFCABZENCRHV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
antiviral agent  A substance that destroys or inhibits replication of viruses.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
interferon inducer  An agent that promotes the production and release of interferons.
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
tilorone (CHEBI:147347) has role anti-inflammatory agent (CHEBI:67079)
tilorone (CHEBI:147347) has role antineoplastic agent (CHEBI:35610)
tilorone (CHEBI:147347) has role antiviral agent (CHEBI:22587)
tilorone (CHEBI:147347) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
tilorone (CHEBI:147347) has role interferon inducer (CHEBI:36710)
tilorone (CHEBI:147347) has role nicotinic acetylcholine receptor agonist (CHEBI:47958)
tilorone (CHEBI:147347) is a aromatic ether (CHEBI:35618)
tilorone (CHEBI:147347) is a diether (CHEBI:46786)
tilorone (CHEBI:147347) is a fluoren-9-ones (CHEBI:24057)
tilorone (CHEBI:147347) is a tertiary amino compound (CHEBI:50996)
tilorone (CHEBI:147347) is conjugate base of tilorone(2+) (CHEBI:147355)
Incoming Relation(s)
tilorone(2+) (CHEBI:147355) is conjugate acid of tilorone (CHEBI:147347)
IUPAC Name 
2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one
INNs  Source
tiloronaWHO MedNet
tiloroneWHO MedNet
tiloroneWHO MedNet
tiloronumWHO MedNet
Synonym  Source
2,7-bis[2-(diethylamino)ethoxy]-9-fluorenoneChEBI
Manual XrefsDatabases
DB17965DrugBank
HMDB0259096HMDB
LSM-20974LINCS
TiloroneWikipedia
Registry NumbersSources
CAS:27591-97-5ChemIDplus
Citations