regorafenib

Ligand id: 5891

Name: regorafenib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 92.35
Molecular weight 482.08
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Wilhelm SM, Dumas J, Adnane L, Lynch M, Carter CA, Sch├╝tz G, Thierauch KH, Zopf D. (2011)
Regorafenib (BAY 73-4506): a new oral multikinase inhibitor of angiogenic, stromal and oncogenic receptor tyrosine kinases with potent preclinical antitumor activity.
Int. J. Cancer129 (1): 245-55. [PMID:21170960]
2. Zambon A, Niculescu-Duvaz I, Niculescu-Duvaz D, Marais R, Springer CJ. (2012)
Small molecule inhibitors of BRAF in clinical trials.
Bioorg. Med. Chem. Lett.22 (2): 789-92. [PMID:22222036]