ticagrelor

Ligand id: 1765

Name: ticagrelor

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 163.74
Molecular weight 522.19
XLogP 2.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2010), FDA (2011))
IUPAC Name
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[5,4-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
International Nonproprietary Names
INN number INN
8772 ticagrelor
Synonyms
AR-C126532XX | AZD6140 | Brilinta® | Brilique® | compound 17 [PMID: 17827008]
Database Links
CAS Registry No. 274693-27-5
ChEBI CHEBI:68558
ChEMBL Ligand CHEMBL398435
PubChem CID 9871419
RCSB PDB Ligand TIQ
Search Google for chemical match using the InChIKey OEKWJQXRCDYSHL-FNOIDJSQSA-N
Search Google for chemicals with the same backbone OEKWJQXRCDYSHL
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Search UniChem for chemical match using the InChIKey OEKWJQXRCDYSHL-FNOIDJSQSA-N
Search UniChem for chemicals with the same backbone OEKWJQXRCDYSHL
Wikipedia Ticagrelor
Comments
Ticagrelor is a selective P2Y12 receptor antagonist [3].