Ligand id: 9256

Name: AZD8848

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 135.38
Molecular weight 569.33
XLogP 2.67
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Biggadike K, Ahmed M, Ball DI, Coe DM, Dalmas Wilk DA, Edwards CD, Gibbon BH, Hardy CJ, Hermitage SA, Hessey JO et al.. (2016)
Discovery of 6-Amino-2-{[(1S)-1-methylbutyl]oxy}-9-[5-(1-piperidinyl)pentyl]-7,9-dihydro-8H-purin-8-one (GSK2245035), a Highly Potent and Selective Intranasal Toll-Like Receptor 7 Agonist for the Treatment of Asthma.
J. Med. Chem.59 (5): 1711-26. [PMID:26861551]
2. Greiff L, Ahlström-Emanuelsson C, Alenäs M, Almqvist G, Andersson M, Cervin A, Dolata J, Lindgren S, Mårtensson A, Young B et al.. (2015)
Biological effects and clinical efficacy of a topical Toll-like receptor 7 agonist in seasonal allergic rhinitis: a parallel group controlled phase IIa study.
Inflamm. Res.64 (11): 903-15. [PMID:26342289]
3. Greiff L, Cervin A, Ahlström-Emanuelsson C, Almqvist G, Andersson M, Dolata J, Eriksson L, Högestätt E, Källén A, Norlén P et al.. (2012)
Repeated intranasal TLR7 stimulation reduces allergen responsiveness in allergic rhinitis.
Respir. Res.13: 53. [PMID:22726593]
4. Kurimoto A, Hashimoto K, Isobe Y, Brough S, Millichip I, Wada H, Bonnert R, McInally T. (2014)
9-Substituted 8-Oxoadenine Compound.
Patent number: US20140045837. Assignee: Astrazeneca Aktiebolag, Dainippon Sumitomo Pharma Co., Ltd.. Priority date: 26/03/2004. Publication date: 13/02/2014.