Ligand id: 324

Name: himbacine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 29.54
Molecular weight 345.27
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Carr BJ, Mihara K, Ramachandran R, Saifeddine M, Nathanson NM, Stell WK, Hollenberg MD. (2018)
Myopia-Inhibiting Concentrations of Muscarinic Receptor Antagonists Block Activation of Alpha2A-Adrenoceptors In Vitro.
Invest. Ophthalmol. Vis. Sci., 59 (7): 2778-2791. [PMID:29860464]
2. Dörje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR. (1991)
Antagonist binding profiles of five cloned human muscarinic receptor subtypes.
J. Pharmacol. Exp. Ther., 256 (2): 727-33. [PMID:1994002]
3. Jolkkonen M, van Giersbergen PL, Hellman U, Wernstedt C, Karlsson E. (1994)
A toxin from the green mamba Dendroaspis angusticeps: amino acid sequence and selectivity for muscarinic m4 receptors.
FEBS Lett., 352 (1): 91-4. [PMID:7925952]
4. Kovacs I, Yamamura HI, Waite SL, Varga EV, Roeske WR. (1998)
Pharmacological comparison of the cloned human and rat M2 muscarinic receptor genes expressed in the murine fibroblast (B82) cell line.
J. Pharmacol. Exp. Ther., 284 (2): 500-7. [PMID:9454790]
5. Miller JH, Aagaard PJ, Gibson VA, McKinney M. (1992)
Binding and functional selectivity of himbacine for cloned and neuronal muscarinic receptors.
J. Pharmacol. Exp. Ther., 263 (2): 663-7. [PMID:1331410]