Ligand id: 7095

Name: pentoxifylline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 75.51
Molecular weight 278.14
XLogP -0.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Essayan DM. (2001)
Cyclic nucleotide phosphodiesterases.
J. Allergy Clin. Immunol., 108 (5): 671-80. [PMID:11692087]
2. Kim SA, Marshall MA, Melman N, Kim HS, Müller CE, Linden J, Jacobson KA. (2002)
Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.
J. Med. Chem., 45 (11): 2131-8. [PMID:12014951]
3. Konrad FM, Neudeck G, Vollmer I, Ngamsri KC, Thiel M, Reutershan J. (2013)
Protective effects of pentoxifylline in pulmonary inflammation are adenosine receptor A2A dependent.
FASEB J., 27 (9): 3524-35. [PMID:23699177]
4. Trevethick MA, Mantell SJ, Stuart EF, Barnard A, Wright KN, Yeadon M. (2008)
Treating lung inflammation with agonists of the adenosine A2A receptor: promises, problems and potential solutions.
Br. J. Pharmacol., 155 (4): 463-74. [PMID:18846036]
5. Ward A, Clissold SP. (1987)
Pentoxifylline. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic efficacy.
Drugs, 34 (1): 50-97. [PMID:3308412]