Ligand id: 9540

Name: AF-219

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 164.82
Molecular weight 353.12
XLogP 0.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Abdulqawi R, Dockry R, Holt K, Layton G, McCarthy BG, Ford AP, Smith JA. (2015)
P2X3 receptor antagonist (AF-219) in refractory chronic cough: a randomised, double-blind, placebo-controlled phase 2 study.
Lancet, 385 (9974): 1198-205. [PMID:25467586]
2. Ford AP, Undem BJ. (2013)
The therapeutic promise of ATP antagonism at P2X3 receptors in respiratory and urological disorders.
Front Cell Neurosci, 7: 267. [PMID:24391544]
3. Jacobson KA, Müller CE. (2016)
Medicinal chemistry of adenosine, P2Y and P2X receptors.
Neuropharmacology, 104: 31-49. [PMID:26686393]
4. Ochoa-Cortes F, Liñán-Rico A, Jacobson KA, Christofi FL. (2014)
Potential for developing purinergic drugs for gastrointestinal diseases.
Inflamm. Bowel Dis., 20 (7): 1259-87. [PMID:24859298]