AF-906

Ligand id: 9538

Name: AF-906

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 122.75
Molecular weight 474.08
XLogP 1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Jacobson KA, Müller CE. (2016)
Medicinal chemistry of adenosine, P2Y and P2X receptors.
Neuropharmacology104: 31-49. [PMID:26686393]
2. Jahangir A, Alam M, Carter DS, Dillon MP, Bois DJ, Ford AP, Gever JR, Lin C, Wagner PJ, Zhai Y et al.. (2009)
Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X(3)/P2X(2/3) antagonist for the treatment of pain.
Bioorg. Med. Chem. Lett.19 (6): 1632-5. [PMID:19231178]