Ligand id: 8981

Name: conessine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 6.48
Molecular weight 356.32
XLogP 5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Panula P, Chazot PL, Cowart M, Gutzmer R, Leurs R, Liu WL, Stark H, Thurmond RL, Haas HL. (2015)
International Union of Basic and Clinical Pharmacology. XCVIII. Histamine Receptors.
Pharmacol. Rev., 67 (3): 601-55. [PMID:26084539]
2. Santora VJ, Covel JA, Hayashi R, Hofilena BJ, Ibarra JB, Pulley MD, Weinhouse MI, Sengupta D, Duffield JJ, Semple G et al.. (2008)
A new family of H3 receptor antagonists based on the natural product Conessine.
Bioorg. Med. Chem. Lett., 18 (4): 1490-4. [PMID:18194865]
3. Zhao C, Sun M, Bennani YL, Gopalakrishnan SM, Witte DG, Miller TR, Krueger KM, Browman KE, Thiffault C, Wetter J et al.. (2008)
The alkaloid conessine and analogues as potent histamine H3 receptor antagonists.
J. Med. Chem., 51 (17): 5423-30. [PMID:18683917]