apatinib

Ligand id: 7648

Name: apatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 90.7
Molecular weight 397.19
XLogP 4.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Li J, Zhao X, Chen L, Guo H, Lv F, Jia K, Yv K, Wang F, Li C, Qian J et al.. (2010)
Safety and pharmacokinetics of novel selective vascular endothelial growth factor receptor-2 inhibitor YN968D1 in patients with advanced malignancies.
BMC Cancer10: 529. [PMID:20923544]
2. Mi YJ, Liang YJ, Huang HB, Zhao HY, Wu CP, Wang F, Tao LY, Zhang CZ, Dai CL, Tiwari AK et al.. (2010)
Apatinib (YN968D1) reverses multidrug resistance by inhibiting the efflux function of multiple ATP-binding cassette transporters.
Cancer Res.70 (20): 7981-91. [PMID:20876799]
3. Tian S, Quan H, Xie C, Guo H, Lü F, Xu Y, Li J, Lou L. (2011)
YN968D1 is a novel and selective inhibitor of vascular endothelial growth factor receptor-2 tyrosine kinase with potent activity in vitro and in vivo.
Cancer Sci.102 (7): 1374-80. [PMID:21443688]