CHEBI:68558 - ticagrelor

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ticagrelor
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H28F2N6O4S
Net Charge 0
Average Mass 522.56800
Monoisotopic Mass 522.18608
InChI InChI=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
SMILES CCCSc1nc(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
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): P2Y12 receptor antagonist
An antagonist at the P2Y12 receptor
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ticagrelor (CHEBI:68558) has role P2Y12 receptor antagonist (CHEBI:68563)
ticagrelor (CHEBI:68558) has role platelet aggregation inhibitor (CHEBI:50427)
ticagrelor (CHEBI:68558) is a aryl sulfide (CHEBI:35683)
ticagrelor (CHEBI:68558) is a hydroxyether (CHEBI:46789)
ticagrelor (CHEBI:68558) is a organofluorine compound (CHEBI:37143)
ticagrelor (CHEBI:68558) is a secondary amino compound (CHEBI:50995)
ticagrelor (CHEBI:68558) is a triazolopyrimidines (CHEBI:48435)
INN Source
ticagrelor KEGG DRUG
Synonyms Sources
(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-diol ChemIDplus
AZD 6140 ChemIDplus
AZD-6140 ChemIDplus
AZD6140 ChemIDplus
Brand Name Source
Brilinta KEGG DRUG
Manual Xrefs Databases
4184 DrugCentral
HMDB0015702 HMDB
WO2012085665 Patent
View more database links
Registry Numbers Types Sources
15468079 Reaxys Registry Number Reaxys
274693-27-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22991347 PubMed citation Europe PMC
Last Modified
22 February 2017