Ligand id: 878

Name: devazepide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 77.56
Molecular weight 408.16
XLogP 6.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. 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]
2. Lee YM, Beinborn M, McBride EW, Lu M, Kolakowski LF, Kopin AS. (1993)
The human brain cholecystokinin-B/gastrin receptor. Cloning and characterization.
J Biol Chem, 268: 8164-8169. [PMID:7681836]