topiramate

Ligand id: 6849

Name: topiramate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 123.92
Molecular weight 339.1
XLogP -1.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kranzler HR, Covault J, Feinn R, Armeli S, Tennen H, Arias AJ, Gelernter J, Pond T, Oncken C, Kampman KM. (2014)
Topiramate Treatment for Heavy Drinkers: Moderation by a GRIK1 Polymorphism.
Am J Psychiatry,  [Epub ahead of print]. [PMID:24525690]
2. Nishimori I, Vullo D, Innocenti A, Scozzafava A, Mastrolorenzo A, Supuran CT. (2005)
Carbonic anhydrase inhibitors: inhibition of the transmembrane isozyme XIV with sulfonamides.
Bioorg. Med. Chem. Lett.15 (17): 3828-33. [PMID:16039848]
3. Oncken C, Arias AJ, Feinn R, Litt M, Covault J, Sofuoglu M, Kranzler HR. (2014)
Topiramate for smoking cessation: a randomized, placebo-controlled pilot study.
Nicotine Tob. Res.16 (3): 288-96. [PMID:24057996]
4. Sethi KK, Vullo D, Verma SM, Tanç M, Carta F, Supuran CT. (2013)
Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, VII, IX and XII with benzene sulfonamides incorporating 4,5,6,7-tetrabromophthalimide moiety.
Bioorg. Med. Chem.21 (19): 5973-82. [PMID:23965175]
5. Vullo D, Innocenti A, Nishimori I, Pastorek J, Scozzafava A, Pastoreková S, Supuran CT. (2005)
Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs?.
Bioorg. Med. Chem. Lett.15 (4): 963-9. [PMID:15686894]