phenelzine

Ligand id: 7266

Name: phenelzine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 38.05
Molecular weight 136.1
XLogP 2.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Binda C, Wang J, Li M, Hubalek F, Mattevi A, Edmondson DE. (2008)
Structural and mechanistic studies of arylalkylhydrazine inhibition of human monoamine oxidases A and B.
Biochemistry47 (20): 5616-25. [PMID:18426226]
2. Fontana E, Dansette PM, Poli SM. (2005)
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
Curr. Drug Metab.6 (5): 413-54. [PMID:16248836]
3. Nurminen EM, Pihlavisto M, Lázár L, Szakonyi Z, Pentikäinen U, Fülöp F, Pentikäinen OT. (2010)
Synthesis, in vitro activity, and three-dimensional quantitative structure-activity relationship of novel hydrazine inhibitors of human vascular adhesion protein-1.
J. Med. Chem.53 (17): 6301-15. [PMID:20690686]
4. Prusevich P, Kalin JH, Ming SA, Basso M, Givens J, Li X, Hu J, Taylor MS, Cieniewicz AM, Hsiao PY et al.. (2014)
A Selective Phenelzine Analogue Inhibitor of Histone Demethylase LSD1.
ACS Chem. Biol.,  [Epub ahead of print]. [PMID:24707965]
5. 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]