Ligand id: 5620

Name: PSB-11

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 67.97
Molecular weight 295.14
XLogP 4.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Müller CE, Diekmann M, Thorand M, Ozola V. (2002)
[(3)H]8-Ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,1-i]-purin-5-one ([(3)H]PSB-11), a novel high-affinity antagonist radioligand for human A(3) adenosine receptors.
Bioorg. Med. Chem. Lett., 12 (3): 501-3. [PMID:11814828]
2. Müller CE, Thorand M, Qurishi R, Diekmann M, Jacobson KA, Padgett WL, Daly JW. (2002)
Imidazo[2,1-i]purin-5-ones and related tricyclic water-soluble purine derivatives: potent A(2A)- and A(3)-adenosine receptor antagonists.
J. Med. Chem., 45 (16): 3440-50. [PMID:12139454]
3. Ozola V, Thorand M, Diekmann M, Qurishi R, Schumacher B, Jacobson KA, Müller CE. (2003)
2-Phenylimidazo[2,1-i]purin-5-ones: structure-activity relationships and characterization of potent and selective inverse agonists at Human A3 adenosine receptors.
Bioorg. Med. Chem., 11 (3): 347-56. [PMID:12517430]