Ligand id: 3478

Name: [3H]PD140376    

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 146.54
Molecular weight 572.3
XLogP 4.63
No. Lipinski's rules broken 1

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 Cp Antagonist Antagonist 9.7 – 10.0 pKi - 1
pKi 9.7 – 10.0 (Ki 2x10-10 – 1x10-10 M) [1]