LAS38096

Ligand id: 5617

Name: LAS38096

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 89.62
Molecular weight 316.11
XLogP 0.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
A2B receptor Hs Antagonist Antagonist 7.8 pKi - 1-2
pKi 7.8 (Ki 1.7x10-8 M) [1-2]
A2A receptor Hs Antagonist Antagonist <6.0 pKi - 1-2
pKi <6.0 (Ki >1x10-6 M) [1-2]
A3 receptor Hs Antagonist Antagonist 6.0 pKi - 1-2
pKi 6.0 (Ki 1.043x10-6 M) [1-2]
A1 receptor Hs Antagonist Antagonist 5.6 pKi - 1-2
pKi 5.6 (Ki 2.821x10-6 M) [1-2]