Ligand id: 5610

Name: MSX-2

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 91.28
Molecular weight 394.16
XLogP 3.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Müller CE, Maurinsh J, Sauer R. (2000)
Binding of [3H]MSX-2 (3-(3-hydroxypropyl)-7-methyl-8-(m-methoxystyryl)-1-propargylxanthine) to rat striatal membranes--a new, selective antagonist radioligand for A(2A) adenosine receptors.
Eur J Pharm Sci, 10 (4): 259-65. [PMID:10838015]
2. Sauer R, Maurinsh J, Reith U, Fülle F, Klotz KN, Müller CE. (2000)
Water-soluble phosphate prodrugs of 1-propargyl-8-styrylxanthine derivatives, A(2A)-selective adenosine receptor antagonists.
J. Med. Chem., 43 (3): 440-8. [PMID:10669571]
3. Solinas M, Ferré S, Antoniou K, Quarta D, Justinova Z, Hockemeyer J, Pappas LA, Segal PN, Wertheim C, Müller CE et al.. (2005)
Involvement of adenosine A1 receptors in the discriminative-stimulus effects of caffeine in rats.
Psychopharmacology (Berl.), 179 (3): 576-86. [PMID:15696333]