Ligand id: 3478

Name: [3H]PD140376    

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
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

1. Hunter JC, Suman-Chauhan N, Meecham KG, Dissanayake VU, Hill DR, Pritchard MC, Kneen CO, Horwell DC, Hughes J, Woodruff GN. (1993)
[3H]PD 140376: a novel and highly selective antagonist radioligand for the cholecystokininB/gastrin receptor in guinea pig cerebral cortex and gastric mucosa.
Mol. Pharmacol., 43 (4): 595-602. [PMID:8474432]