EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2950 - azelastine

Default Structure
ChEBI IDCHEBI:2950
ChEBI Nameazelastine
Stars
DefinitionA phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position.
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H24ClN3O
Net Charge0
Average Mass381.907
Monoisotopic Mass381.16079
SMILESCN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
InChIInChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
InChIKeyMBUVEWMHONZEQD-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 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor  A lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34).
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
Applications:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
anti-allergic agent  A drug used to treat allergic reactions.
nasal decongestant  A drug used to relieve nasal congestion in the upper respiratory tract.
anti-asthmatic drug  A drug used to treat asthma.
ChEBI Ontology
Outgoing Relation(s)
azelastine (CHEBI:2950) has role anti-allergic agent (CHEBI:50857)
azelastine (CHEBI:2950) has role anti-asthmatic drug (CHEBI:49167)
azelastine (CHEBI:2950) has role bronchodilator agent (CHEBI:35523)
azelastine (CHEBI:2950) has role EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor (CHEBI:64964)
azelastine (CHEBI:2950) has role H1-receptor antagonist (CHEBI:37955)
azelastine (CHEBI:2950) has role nasal decongestant (CHEBI:77715)
azelastine (CHEBI:2950) has role platelet aggregation inhibitor (CHEBI:50427)
azelastine (CHEBI:2950) is a monochlorobenzenes (CHEBI:83403)
azelastine (CHEBI:2950) is a phthalazines (CHEBI:38768)
azelastine (CHEBI:2950) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
azelastine hydrochloride (CHEBI:2951) has part azelastine (CHEBI:2950)
(R)-azelastine (CHEBI:55362) is a azelastine (CHEBI:2950)
(S)-azelastine (CHEBI:55363) is a azelastine (CHEBI:2950)
IUPAC Name 
4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
INNs  Source
azelastinaDrugBank
azelastineKEGG DRUG
azélastineWHO MedNet
azelastinumDrugBank
Synonyms  Source
4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinoneChemIDplus
NSC-758971ChEMBL
Manual XrefsDatabases
271DrugCentral
AzelastineWikipedia
BE778269Patent
C07768KEGG COMPOUND
D07483KEGG DRUG
DB00972DrugBank
LSM-5127LINCS
US3813384Patent
Registry NumbersSources
Reaxys:900747Reaxys
CAS:58581-89-8DrugBank
CAS:58581-89-8KEGG DRUG
CAS:58581-89-8KEGG COMPOUND
CAS:58581-89-8ChemIDplus
Citations