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

References
1. Armstrong D, Summers C, Ewart L, Nylander S, Sidaway JE, van Giezen JJ. (2014)
Characterization of the adenosine pharmacology of ticagrelor reveals therapeutically relevant inhibition of equilibrative nucleoside transporter 1.
J. Cardiovasc. Pharmacol. Ther.19 (2): 209-19. [PMID:24414167]
2. Hoffmann K, Lutz DA, Straßburger J, Baqi Y, Müller CE, von Kügelgen I. (2014)
Competitive mode and site of interaction of ticagrelor at the human platelet P2Y12 -receptor.
J. Thromb. Haemost.12 (11): 1898-905. [PMID:25186974]
3. Springthorpe B, Bailey A, Barton P, Birkinshaw TN, Bonnert RV, Brown RC, Chapman D, Dixon J, Guile SD, Humphries RG et al.. (2007)
From ATP to AZD6140: the discovery of an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis.
Bioorg. Med. Chem. Lett.17 (21): 6013-8. [PMID:17827008]
4. Zech G, Hessler G, Evers A, Weiss T, Florian P, Just M, Czech J, Czechtizky W, Görlitzer J, Ruf S et al.. (2012)
Identification of high-affinity P2Y₁₂ antagonists based on a phenylpyrazole glutamic acid piperazine backbone.
J. Med. Chem.55 (20): 8615-29. [PMID:22984835]