Ligand id: 7641

Name: icotinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 74.73
Molecular weight 391.15
XLogP 2.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hu S, Xie G, Zhang DX, Davis C, Long W, Hu Y, Wang F, Kang X, Tan F, Ding L et al.. (2012)
Synthesis and biological evaluation of crown ether fused quinazoline analogues as potent EGFR inhibitors.
Bioorg. Med. Chem. Lett., 22 (19): 6301-5. [PMID:22959248]
2. Tan F, Shen X, Wang D, Xie G, Zhang X, Ding L, Hu Y, He W, Wang Y, Wang Y. (2012)
Icotinib (BPI-2009H), a novel EGFR tyrosine kinase inhibitor, displays potent efficacy in preclinical studies.
Lung Cancer, 76 (2): 177-82. [PMID:22112293]
3. Zhao Q, Shentu J, Xu N, Zhou J, Yang G, Yao Y, Tan F, Liu D, Wang Y, Zhou J. (2011)
Phase I study of icotinib hydrochloride (BPI-2009H), an oral EGFR tyrosine kinase inhibitor, in patients with advanced NSCLC and other solid tumors.
Lung Cancer, 73 (2): 195-202. [PMID:21144613]