Ligand Id: 4046
Ligand name NF546

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 10
Rotatable bonds 28
Topological polar surface area 382.89
Molecular weight 1180.13
XLogP 4.53
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
References
1. Meis, S; Hamacher, A; Hongwiset, D; Marzian, C; Wiese, M; Eckstein, N; Royer, HD; Communi, D; Boeynaems, JM; Hausmann, R; et al.. (2010)
NF546 [4,4'-(carbonylbis(imino-3,1-phenylene-carbonylimino-3,1-(4-methyl-phenylene)-carbonylimino))-bis(1,3-xylene-alpha,alpha'-diphosphonic acid) tetrasodium salt] is a non-nucleotide P2Y11 agonist and stimulates release of interleukin-8 from human monocyte-derived dendritic cells.
J. Pharmacol. Exp. Ther., 332 (1): 238-47. [PMID:19815812]