Ligand id: 2373

Name: ivermectin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 170.06
Molecular weight 874.51
XLogP 2.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Khakh BS, Proctor WR, Dunwiddie TV, Labarca C, Lester HA. (1999)
Allosteric control of gating and kinetics at P2X(4) receptor channels.
J. Neurosci., 19 (17): 7289-99. [PMID:10460235]
2. Krause RM, Buisson B, Bertrand S, Corringer PJ, Galzi JL, Changeux JP, Bertrand D. (1998)
Ivermectin: a positive allosteric effector of the alpha7 neuronal nicotinic acetylcholine receptor.
Mol. Pharmacol., 53 (2): 283-94. [PMID:9463487]
3. Nörenberg W, Sobottka H, Hempel C, Plötz T, Fischer W, Schmalzing G, Schaefer M. (2012)
Positive allosteric modulation by ivermectin of human but not murine P2X7 receptors.
Br. J. Pharmacol., 167 (1): 48-66. [PMID:22506590]
4. Shan Q, Haddrill JL, Lynch JW. (2001)
Ivermectin, an unconventional agonist of the glycine receptor chloride channel.
J. Biol. Chem., 276 (16): 12556-64. [PMID:11278873]