EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68558 - ticagrelor

ChEBI IDCHEBI:68558
ChEBI Nameticagrelor
Stars
DefinitionA triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile

FormulaC23H28F2N6O4S
Net Charge0
Average Mass522.578
Monoisotopic Mass522.18608
SMILESCCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
InChIKeyOEKWJQXRCDYSHL-FNOIDJSQSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
INN  Source
ticagrelorKEGG DRUG
Synonyms  Source
(1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diolChemIDplus
AZD6140ChemIDplus
AZD-6140ChemIDplus
AZD 6140ChemIDplus
Brand Name  Source
BrilintaKEGG DRUG
Manual XrefsDatabases
D09017KEGG DRUG
WO2012085665Patent
HMDB0015702HMDB
4184DrugCentral
Registry NumbersSources
Reaxys:15468079Reaxys
CAS:274693-27-5ChemIDplus
Citations