Ligand id: 6799

Name: capecitabine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 120.36
Molecular weight 360.16
XLogP 1.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Carlini LE, Meropol NJ, Bever J, Andria ML, Hill T, Gold P, Rogatko A, Wang H, Blanchard RL. (2005)
UGT1A7 and UGT1A9 polymorphisms predict response and toxicity in colorectal cancer patients treated with capecitabine/irinotecan.
Clin. Cancer Res., 11 (3): 1226-36. [PMID:15709193]
2. Papamichael D. (1999)
The use of thymidylate synthase inhibitors in the treatment of advanced colorectal cancer: current status.
Oncologist, 4 (6): 478-87. [PMID:10631692]