Ligand id: 8696

Name: tipiracil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 85.29
Molecular weight 242.06
XLogP 0.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Takahashi Y, Bucana CD, Akagi Y, Liu W, Cleary KR, Mai M, Ellis LM. (1998)
Significance of platelet-derived endothelial cell growth factor in the angiogenesis of human gastric cancer.
Clin. Cancer Res., 4 (2): 429-34. [PMID:9516932]
2. Tanaka N, Sakamoto K, Okabe H, Fujioka A, Yamamura K, Nakagawa F, Nagase H, Yokogawa T, Oguchi K, Ishida K et al.. (2014)
Repeated oral dosing of TAS-102 confers high trifluridine incorporation into DNA and sustained antitumor activity in mouse models.
Oncol. Rep., 32 (6): 2319-26. [PMID:25230742]
3. Temmink OH, Emura T, de Bruin M, Fukushima M, Peters GJ. (2007)
Therapeutic potential of the dual-targeted TAS-102 formulation in the treatment of gastrointestinal malignancies.
Cancer Sci., 98 (6): 779-89. [PMID:17441963]