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CHEBI:9605 - tirofiban

Default Structure
ChEBI IDCHEBI:9605
ChEBI Nametirofiban
Stars
DefinitionA member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.
Secondary ChEBI IDCHEBI:40602
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H36N2O5S
Net Charge0
Average Mass440.606
Monoisotopic Mass440.23449
SMILESCCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O
InChIInChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyCOKMIXFXJJXBQG-NRFANRHFSA-N
Wikipedia
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
platelet glycoprotein-IIb/IIIa receptor antagonist  Antagonist of platelet surface glycoprotein-IIb/IIIa which has a key role in hemostasis and thrombosis such as platelet adhesion and aggregation.
Applications:
fibrin modulating drug  A drug that affects the function of fibrin in blood coagulation.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
anticoagulant  An agent that prevents blood clotting.
platelet glycoprotein-IIb/IIIa receptor antagonist  Antagonist of platelet surface glycoprotein-IIb/IIIa which has a key role in hemostasis and thrombosis such as platelet adhesion and aggregation.
antiatherosclerotic agent  A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.
ChEBI Ontology
Outgoing Relation(s)
tirofiban (CHEBI:9605) has role antiatherosclerotic agent (CHEBI:145947)
tirofiban (CHEBI:9605) has role anticoagulant (CHEBI:50249)
tirofiban (CHEBI:9605) has role antiviral agent (CHEBI:22587)
tirofiban (CHEBI:9605) has role cardiovascular drug (CHEBI:35554)
tirofiban (CHEBI:9605) has role fibrin modulating drug (CHEBI:48676)
tirofiban (CHEBI:9605) has role platelet glycoprotein-IIb/IIIa receptor antagonist (CHEBI:50433)
tirofiban (CHEBI:9605) is a L-tyrosine derivative (CHEBI:27177)
tirofiban (CHEBI:9605) is a piperidines (CHEBI:26151)
tirofiban (CHEBI:9605) is a sulfonamide (CHEBI:35358)
Incoming Relation(s)
tirofiban hydrochloride (CHEBI:9606) has part tirofiban (CHEBI:9605)
IUPAC Name 
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
INNs  Source
tirofibanChEBI
tirofibánChEBI
tirofibanumChEBI
Synonyms  Source
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acidIUPAC
AgrastatChEMBL
N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosineChemIDplus
TirofibanKEGG COMPOUND
Manual XrefsDatabases
2680DrugCentral
AGGPDBeChem
C07965KEGG COMPOUND
D08607KEGG DRUG
DB00775DrugBank
EP478363Patent
TirofibanWikipedia
US5292756Patent
Registry NumbersSources
Beilstein:6182267Beilstein
CAS:144494-65-5ChemIDplus
Citations