SCH 58261

Ligand id: 403

Name: SCH 58261

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 4
Topological polar surface area 100.06
Molecular weight 345.13
XLogP 3.08
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
A2A receptor Hs Antagonist Antagonist 8.3 – 9.2 pKi - 3,5-6
pKi 8.3 – 9.2 [3,5-6]
A2B receptor Hs Antagonist Antagonist 6.0 – 6.5 pKi - 1,4
pKi 6.0 – 6.5 [1,4]
A1 receptor Hs Antagonist Antagonist 6.1 – 6.3 pKi - 4,6,8
pKi 6.1 – 6.3 [4,6,8]
A3 receptor Hs Antagonist Antagonist 5.9 pKi - 4
pKi 5.9 (Ki 1.2x10-6 M) [4]