aspirin

Ligand id: 4139

Name: aspirin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 180.04
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Chowdhury MA, Abdellatif KR, Dong Y, Das D, Yu G, Velázquez CA, Suresh MR, Knaus EE. (2009)
Synthesis and biological evaluation of salicylic acid and N-acetyl-2-carboxybenzenesulfonamide regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity.
Bioorg. Med. Chem. Lett.19 (24): 6855-61. [PMID:19884005]
2. Takahashi T, Miyazawa M. (2012)
N-Caffeoyl serotonin as selective COX-2 inhibitor.
Bioorg. Med. Chem. Lett.22 (7): 2494-6. [PMID:22386242]
3. Voilley N, de Weille J, Mamet J, Lazdunski M. (2001)
Nonsteroid anti-inflammatory drugs inhibit both the activity and the inflammation-induced expression of acid-sensing ion channels in nociceptors.
J. Neurosci.21 (20): 8026-33. [PMID:11588175]