YF-476

Ligand id: 887

Name: YF-476

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 115.79
Molecular weight 498.24
XLogP 2.66
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
CCK2 receptor Hs Antagonist Antagonist 9.6 pKi - 2
pKi 9.6 [2]
CCK2 receptor Hs Antagonist Antagonist 9.7 pIC50 - 1,4
pIC50 9.7 [1,4]
CCK1 receptor Rn Antagonist Antagonist 6.9 pIC50 - 3
pIC50 6.9 [3]