osimertinib

Ligand id: 7719

Name: osimertinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 87.55
Molecular weight 499.27
XLogP 3.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Bersanelli M, Minari R, Bordi P, Gnetti L, Bozzetti C, Squadrilli A, Lagrasta CA, Bottarelli L, Osipova G, Capelletto E et al.. (2016)
L718Q Mutation as New Mechanism of Acquired Resistance to AZD9291 in EGFR-Mutated NSCLC.
J Thorac Oncol, 11 (10): e121-3. [PMID:27257132]
2. Cross DA, Ashton SE, Ghiorghiu S, Eberlein C, Nebhan CA, Spitzler PJ, Orme JP, Finlay MR, Ward RA, Mellor MJ et al.. (2014)
AZD9291, an irreversible EGFR TKI, overcomes T790M-mediated resistance to EGFR inhibitors in lung cancer.
Cancer Discov, 4 (9): 1046-61. [PMID:24893891]
3. FDA. 
FDA approves osimertinib for first-line treatment of metastatic NSCLC with most common EGFR mutations.
Accessed on 20/04/2018. Modified on 20/04/2018. FDA.gov, https://www.fda.gov/Drugs/InformationOnDrugs/ApprovedDrugs/ucm605113
4. Ou SH, Soo RA. (2015)
Dacomitinib in lung cancer: a "lost generation" EGFR tyrosine-kinase inhibitor from a bygone era?.
Drug Des Devel Ther, 9: 5641-53. [PMID:26508839]
5. Song HN, Jung KS, Yoo KH, Cho J, Lee JY, Lim SH, Kim HS, Sun JM, Lee SH, Ahn JS et al.. (2016)
Acquired C797S Mutation upon Treatment with a T790M-Specific Third-Generation EGFR Inhibitor (HM61713) in Non-Small Cell Lung Cancer.
J Thorac Oncol, 11 (4): e45-7. [PMID:26749488]
6. Wang S, Cang S, Liu D. (2016)
Third-generation inhibitors targeting EGFR T790M mutation in advanced non-small cell lung cancer.
J Hematol Oncol, 9: 34. [PMID:27071706]
7. Yu HA, Riely GJ. (2013)
Second-generation epidermal growth factor receptor tyrosine kinase inhibitors in lung cancers.
J Natl Compr Canc Netw, 11 (2): 161-9. [PMID:23411383]
8. Yu HA, Tian SK, Drilon AE, Borsu L, Riely GJ, Arcila ME, Ladanyi M. (2015)
Acquired Resistance of EGFR-Mutant Lung Cancer to a T790M-Specific EGFR Inhibitor: Emergence of a Third Mutation (C797S) in the EGFR Tyrosine Kinase Domain.
JAMA Oncol, 1 (7): 982-4. [PMID:26181354]