dacomitinib

Ligand id: 7422

Name: dacomitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 79.38
Molecular weight 469.17
XLogP 3.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Barf T, Kaptein A. (2012)
Irreversible protein kinase inhibitors: balancing the benefits and risks.
J. Med. Chem., 55 (14): 6243-62. [PMID:22621397]
2. Wu YL, Cheng Y, Zhou X, Lee KH, Nakagawa K, Niho S, Tsuji F, Linke R, Rosell R, Corral J et al.. (2017)
Dacomitinib versus gefitinib as first-line treatment for patients with EGFR-mutation-positive non-small-cell lung cancer (ARCHER 1050): a randomised, open-label, phase 3 trial.
Lancet Oncol., 18 (11): 1454-1466. [PMID:28958502]