afatinib

Ligand id: 5667

Name: afatinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 88.61
Molecular weight 485.16
XLogP 3.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification.
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Comprehensive analysis of kinase inhibitor selectivity.
Nat. Biotechnol.29 (11): 1046-51. [PMID:22037378]
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EGF816 Exerts Anticancer Effects in Non-Small Cell Lung Cancer by Irreversibly and Selectively Targeting Primary and Acquired Activating Mutations in the EGF Receptor.
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BIBW2992, an irreversible EGFR/HER2 inhibitor highly effective in preclinical lung cancer models.
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8. Yu HA, Pao W. (2013)
Targeted therapies: Afatinib--new therapy option for EGFR-mutant lung cancer.
Nat Rev Clin Oncol10 (10): 551-2. [PMID:23959269]