Ligand id: 8284

Name: CPP-115

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 63.32
Molecular weight 177.06
XLogP -0.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Briggs SW, Mowrey W, Hall CB, Galanopoulou AS. (2014)
CPP-115, a vigabatrin analogue, decreases spasms in the multiple-hit rat model of infantile spasms.
Epilepsia55 (1): 94-102. [PMID:24321005]
2. Lee H, Doud EH, Wu R, Sanishvili R, Juncosa JI, Liu D, Kelleher NL, Silverman RB. (2015)
Mechanism of Inactivation of γ-Aminobutyric Acid Aminotransferase by (1S,3S)-3-Amino-4-difluoromethylene-1-cyclopentanoic Acid (CPP-115).
J. Am. Chem. Soc.137 (7): 2628-40. [PMID:25616005]
3. Pan Y, Gerasimov MR, Kvist T, Wellendorph P, Madsen KK, Pera E, Lee H, Schousboe A, Chebib M, Bräuner-Osborne H et al.. (2012)
(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
J. Med. Chem.55 (1): 357-66. [PMID:22128851]
4. Silverman RB. (2012)
The 2011 E. B. Hershberg award for important discoveries in medicinally active substances: (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a GABA aminotransferase inactivator and new treatment for drug addiction and infantile spasms.
J. Med. Chem.55 (2): 567-75. [PMID:22168767]
5. Yuan H, Silverman RB. (2007)
Structural modifications of (1S,3S)-3-amino-4-difluoromethylenecyclopentanecarboxylic acid, a potent irreversible inhibitor of GABA aminotransferase.
Bioorg. Med. Chem. Lett.17 (6): 1651-4. [PMID:17267220]