Ligand id: 324

Name: himbacine

Structure and Physico-chemical Properties

2D Structure
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. 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]
2. Jolkkonen M, Van Giersbergen PLM, 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: 91-94. [PMID:7925952]
3. 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: 500-507. [PMID:9454790]
4. 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: 663-667. [PMID:1331410]