bupropion

Ligand id: 7135

Name: bupropion

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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 29.1
Molecular weight 239.11
XLogP 3.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Carroll FI, Blough BE, Abraham P, Mills AC, Holleman JA, Wolckenhauer SA, Decker AM, Landavazo A, McElroy KT, Navarro HA et al.. (2009)
Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction.
J. Med. Chem.52 (21): 6768-81. [PMID:19821577]
2. Lapinsky DJ, Aggarwal S, Huang Y, Surratt CK, Lever JR, Foster JD, Vaughan RA. (2009)
A novel photoaffinity ligand for the dopamine transporter based on pyrovalerone.
Bioorg. Med. Chem.17 (11): 3770-4. [PMID:19442525]