Ligand id: 1737

Name: denufosol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 10
Rotatable bonds 14
Topological polar surface area 421.51
Molecular weight 774.02
XLogP -8.16
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Lazarowski ER, Watt WC, Stutts MJ, Brown HA, Boucher RC, Harden TK. (1996)
Enzymatic synthesis of UTP gamma S, a potent hydrolysis resistant agonist of P2U-purinoceptors.
Br. J. Pharmacol., 117 (1): 203-9. [PMID:8825364]
2. Pendergast W, Yerxa BR, Douglass JG, Shaver SR, Dougherty RW, Redick CC, Sims IF, Rideout JL. (2001)
Synthesis and P2Y receptor activity of a series of uridine dinucleoside 5'-polyphosphates.
Bioorg Med Chem Lett, 11: 157-160. [PMID:11206448]
3. Yerxa BR, Sabater JR, Davis CW, Stutts MJ, Lang-Furr M, Picher M, Jones AC, Cowlen M, Dougherty R, Boyer J, Abraham WM, Boucher RC. (2002)
Pharmacology of INS37217 [P(1)-(uridine 5')-P(4)- (2'-deoxycytidine 5')tetraphosphate, tetrasodium salt], a next-generation P2Y(2) receptor agonist for the treatment of cystic fibrosis.
J Pharmacol Exp Ther, 302: 871-880. [PMID:12183642]