desipramine

Ligand id: 2399

Name: desipramine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 15.27
Molecular weight 266.18
XLogP 5.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Altenbach RJ, Black LA, Strakhova MI, Manelli AM, Carr TL, Marsh KC, Wetter JM, Wensink EJ, Hsieh GC, Honore P et al.. (2010)
Diaryldiamines with dual inhibition of the histamine H(3) receptor and the norepinephrine transporter and the efficacy of 4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol in pain.
J. Med. Chem.53 (21): 7869-73. [PMID:20945906]
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Interaction of organic cations with a newly identified plasma membrane monoamine transporter.
Mol. Pharmacol.68 (5): 1397-407. [PMID:16099839]
3. Kobayashi T, Washiyama K, Ikeda K. (2004)
Inhibition of G protein-activated inwardly rectifying K+ channels by various antidepressant drugs.
Neuropsychopharmacology29 (10): 1841-51. [PMID:15150531]
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Discovery of novel selective norepinephrine reuptake inhibitors: 4-[3-aryl-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)butan-2-ols (WYE-103231).
J. Med. Chem.53 (11): 4511-21. [PMID:20462211]
5. Owens MJ, Morgan WN, Plott SJ, Nemeroff CB. (1997)
Neurotransmitter receptor and transporter binding profile of antidepressants and their metabolites.
J. Pharmacol. Exp. Ther.283 (3): 1305-22. [PMID:9400006]
6. Wang J. (2016)
The plasma membrane monoamine transporter (PMAT): Structure, function, and role in organic cation disposition.
Clin. Pharmacol. Ther.100 (5): 489-499. [PMID:27506881]