indacaterol

Ligand id: 7455

Name: indacaterol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 81.59
Molecular weight 392.21
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Beattie D, Beer D, Bradley ME, Bruce I, Charlton SJ, Cuenoud BM, Fairhurst RA, Farr D, Fozard JR, Janus D et al.. (2012)
An investigation into the structure-activity relationships associated with the systematic modification of the β(2)-adrenoceptor agonist indacaterol.
Bioorg. Med. Chem. Lett.22 (19): 6280-5. [PMID:22932315]
2. Cazzola M, Matera MG, Lötvall J. (2005)
Ultra long-acting beta 2-agonists in development for asthma and chronic obstructive pulmonary disease.
Expert Opin Investig Drugs14 (7): 775-83. [PMID:16022567]