MRS1067

Ligand id: 466

Name: MRS1067

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 39.44
Molecular weight 362.05
XLogP 7.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Jacobson KA, Park KS, Jiang JL, Kim YC, Olah ME, Stiles GL, Ji XD. (1997)
Pharmacological characterization of novel A3 adenosine receptor-selective antagonists.
Neuropharmacology, 36 (9): 1157-65. [PMID:9364471]
2. Karton Y, Jiang JL, Ji XD, Melman N, Olah ME, Stiles GL, Jacobson KA. (1996)
Synthesis and biological activities of flavonoid derivatives as A3 adenosine receptor antagonists.
J. Med. Chem., 39 (12): 2293-301. [PMID:8691424]