Ligand id: 5887

Name: cabozantinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 98.78
Molecular weight 501.17
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Abou-Alfa GK, Meyer T, Cheng A-L, El-Khoueiry A, Rimassa L, Ryoo B-Y, Cicin I, Merle P, Chen Y-H, Park J-W et al.. (2018)
Cabozantinib (C) versus placebo (P) in patients (pts) with advanced hepatocellular carcinoma (HCC) who have received prior sorafenib: Results from the randomized phase 3 CELESTIAL trial.
Journal of Clinical Oncology, 36 (15 (suppl)): 4019. DOI: 10.1200/JCO.2018.36.15_suppl.4019
2. Choueiri TK, Escudier B, Powles T, Mainwaring PN, Rini BI, Donskov F, Hammers H, Hutson TE, Lee JL, Peltola K et al.. (2015)
Cabozantinib versus Everolimus in Advanced Renal-Cell Carcinoma.
N. Engl. J. Med., 373 (19): 1814-23. [PMID:26406150]
3. FDA. 
FDA grants regular approval to Cabometyx for first-line treatment of advanced renal cell carcinoma.
Accessed on 03/01/2018. Modified on 03/01/2018.,
4. Rimassa L, Cicin I, Blanc J-F, Klümpen HJ, Zagonel V, Tran A, Kim SCH, Lin Z-Z, Tam VC, Hazara S et al.. (2018)
Outcomes based on age in the phase 3 CELESTIAL trial of cabozantinib (C) versus placebo (P) in patients (pts) with advanced hepatocellular carcinoma (HCC).
Jout=rnal of Clonical Oncology, 36 (15 (suppl)): 4090. DOI: 10.1200/JCO.2018.36.15_suppl.4090
5. Yakes FM, Chen J, Tan J, Yamaguchi K, Shi Y, Yu P, Qian F, Chu F, Bentzien F, Cancilla B et al.. (2011)
Cabozantinib (XL184), a novel MET and VEGFR2 inhibitor, simultaneously suppresses metastasis, angiogenesis, and tumor growth.
Mol. Cancer Ther., 10 (12): 2298-308. [PMID:21926191]