AB-MECA

Ligand id: 416

Name: 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 399.17
XLogP 0.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Klotz K-N, Hessling J, Hegler J, Owman C, Kull B, Fredholm BB, Lohse MJ. (1998)
Comparative pharmacology of human adenosine receptor subtypes characterization of stably transfected receptors in CHO cells.
Naunyn Schmiedebergs Arch. Pharmacol.357: 1-9. [PMID:9459566]
2. 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]