[125I]AB-MECA

Ligand id: 436

Name: [125I]AB-MECA    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 160.44
Molecular weight 525.06
XLogP 0.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Olah ME, Jacobson KA, Stiles GL. (1994)
Role of the second extracellular loop of adenosine receptors in agonist and antagonist binding. Analysis of chimeric A1/A3 adenosine receptors.
J Biol Chem269: 24692-24698. [PMID:7929142]
2. Ongini E, Dionisotti S, Gessi S, Irenius E, Fredholm BB. (1999)
Comparison of CGS 15943, ZM 241385 and SCH 58261 as antagonists at human adenosine receptors.
Naunyn Schmiedebergs Arch. Pharmacol.359: 7-10. [PMID:9933143]
3. Varani K, Merighi S, Gessi S, Klotz KN, Leung E, Baraldi PG, Cacciari B, Romagnoli R, Spalluto G, Borea PA. (2000)
[(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors.
Mol Pharmacol57: 968-975. [PMID:10779381]