nintedanib

Ligand id: 5936

Name: nintedanib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 94.22
Molecular weight 539.25
XLogP 4.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Dimitroulis IA. (2014)
Nintedanib: a novel therapeutic approach for idiopathic pulmonary fibrosis.
Respir Care59 (9): 1450-5. [PMID:24782550]
2. Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J et al.. (2008)
BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.
Cancer Res.68 (12): 4774-82. [PMID:18559524]
3. Hunninghake GM. (2014)
A new hope for idiopathic pulmonary fibrosis.
N. Engl. J. Med.370 (22): 2142-3. [PMID:24836311]
4. Stopfer P, Rathgen K, Bischoff D, L├╝dtke S, Marzin K, Kaiser R, Wagner K, Ebner T. (2011)
Pharmacokinetics and metabolism of BIBF 1120 after oral dosing to healthy male volunteers.
Xenobiotica41 (4): 297-311. [PMID:21204634]