Ligand id: 873

Name: CI-988

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 149.62
Molecular weight 614.31
XLogP 6.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Dunlop J, Brammer N, Ennis C. (1996)
Pharmacological characterization of a Chinese hamster ovary cell line transfected with the human CCK-B receptor gene.
Neuropeptides, 30: 359-363. [PMID:8914862]
2. Hughes J, Boden P, Costall B, Domeney A, Kelly E, Horwell DC, Hunter JC, Pinnock RD, Woodruff GN. (1990)
Development of a class of selective cholecystokinin type B receptor antagonists having potent anxiolytic activity.
Proc Natl Acad Sci U S A, 87: 6728-6732. [PMID:1975695]