warfarin

Ligand id: 6853

Name: warfarin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 63.6
Molecular weight 308.1
XLogP 5.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Bevans CG, Krettler C, Reinhart C, Tran H, KoƟmann K, Watzka M, Oldenburg J. (2013)
Determination of the warfarin inhibition constant Ki for vitamin K 2,3-epoxide reductase complex subunit-1 (VKORC1) using an in vitro DTT-driven assay.
Biochim. Biophys. Acta1830 (8): 4202-10. [PMID:23618698]
2. Takahashi H, Echizen H. (2001)
Pharmacogenetics of warfarin elimination and its clinical implications.
Clin Pharmacokinet40 (8): 587-603. [PMID:11523725]