Ligand id: 878

Name: devazepide

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 77.56
Molecular weight 408.16
XLogP 4.46
No. Lipinski's rules broken 0

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 (17): 6728-32. [PMID:1975695]
2. Lee YM, Beinborn M, McBride EW, Lu M, Kolakowski Jr LF, Kopin AS. (1993)
The human brain cholecystokinin-B/gastrin receptor. Cloning and characterization.
J. Biol. Chem., 268 (11): 8164-9. [PMID:7681836]