Ligand id: 4267

Name: NF449

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 35
Hydrogen bond donors 6
Rotatable bonds 32
Topological polar surface area 571.53
Molecular weight 1503.75
XLogP 0.27
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Kassack MU, Braun K, Ganso M, Ullmann H, Nickel P, Böing B, Müller G, Lambrecht G. (2004)
Structure-activity relationships of analogues of NF449 confirm NF449 as the most potent and selective known P2X1 receptor antagonist.
Eur J Med Chem, 39 (4): 345-57. [PMID:15072843]