LUF7602

Ligand id: 10351

Name: LUF7602

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 142.15
Molecular weight 531.16
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
1 μM LUF7602 produces no detectable displacement of specific [3H]PSB-603 binding on CHO cell membranes stably expressing hA2B receptors [1].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A3 receptor Hs Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 (Ki 1x10-8 M) [1]
Description: Displacement of [3H]PSB-11 binding from the hA3AR (in membranes from stably transfected CHO cells) following preincubation for 4 h,
A1 receptor Hs Antagonist Antagonist 6.1 pKi - 1
pKi 6.1 (Ki 7.94x10-7 M) [1]
Description: Affinity determined from the displacement of specific [3H]DPCPX binding on CHO cell membranes stably expressing human adenosine A1 receptors at 25 °C during 2 h of incubation.
A2A receptor Hs Antagonist Antagonist 5.9 pKi - 1
pKi 5.9 (Ki 1.259x10-6 M) [1]
Description: Affinity determined from the displacement of specific [3H]ZM241385 binding on HEK293 cell membranes stably expressing human adenosine A2A receptors at 25 °C during 2 h of incubation.