Ligand id: 4047

Name: vorapaxar

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 77.52
Molecular weight 492.24
XLogP 6.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Chackalamannil S, Wang Y, Greenlee WJ, Hu Z, Xia Y, Ahn HS, Boykow G, Hsieh Y, Palamanda J, Agans-Fantuzzi J et al.. (2008)
Discovery of a novel, orally active himbacine-based thrombin receptor antagonist (SCH 530348) with potent antiplatelet activity.
J. Med. Chem., 51 (11): 3061-4. [PMID:18447380]
2. Ueno M, Ferreiro JL, Angiolillo DJ. (2010)
Mechanism of action and clinical development of platelet thrombin receptor antagonists.
Expert Rev Cardiovasc Ther, 8 (8): 1191-200. [PMID:20670195]