Ligand Id: 1766
Ligand name BX 048

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 175.67
Molecular weight 558.23
XLogP 1.68
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
References
1. Post, J.M., Alexander, S., Wang, Y.X., Vincelette, J., Vergona, R., Kent, L., Bryant, J., Sullivan, M.E., Dole, W.P., Morser, J. and Subramanyam, B. (2008)
Novel P2Y12 adenosine diphosphate receptor antagonists for inhibition of platelet aggregation (II): pharmacodynamic and pharmacokinetic characterization.
Thromb Res, 122: 533-540. [PMID:18539312]