doxepin

Ligand id: 1225

Name: doxepin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 12.47
Molecular weight 279.16
XLogP 5.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Auerbach SS, DrugMatrix® and ToxFX® Coordinator National Toxicology Program. 
National Toxicology Program: Dept of Health and Human Services.
Accessed on 02/05/2014. Modified on 02/05/2014. DrugMatrix, https://ntp.niehs.nih.gov/drugmatrix/index.html
2. Booth RG, Moniri NH, Bakker RA, Choksi NY, Nix WB, Timmerman H, Leurs R. (2002)
A novel phenylaminotetralin radioligand reveals a subpopulation of histamine H(1) receptors.
J Pharmacol Exp Ther302: 328-336. [PMID:12065734]
3. Kubo N, Shirakawa O, Kuno T, Tanaka C. (1987)
Antimuscarinic effects of antihistamines: quantitative evaluation by receptor-binding assay.
Jpn. J. Pharmacol.43 (3): 277-82. [PMID:2884340]
4. Tatsumi M, Groshan K, Blakely RD, Richelson E. (1997)
Pharmacological profile of antidepressants and related compounds at human monoamine transporters.
Eur. J. Pharmacol.340 (2-3): 249-58. [PMID:9537821]