Ligand id: 8291

Name: safinamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 64.35
Molecular weight 302.14
XLogP 3.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Binda C, Hubálek F, Li M, Herzig Y, Sterling J, Edmondson DE, Mattevi A. (2004)
Crystal structures of monoamine oxidase B in complex with four inhibitors of the N-propargylaminoindan class.
J. Med. Chem., 47 (7): 1767-74. [PMID:15027868]
2. Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A. (2007)
Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.
J. Med. Chem., 50 (23): 5848-52. [PMID:17915852]
3. Caccia C, Maj R, Calabresi M, Maestroni S, Faravelli L, Curatolo L, Salvati P, Fariello RG. (2006)
Safinamide: from molecular targets to a new anti-Parkinson drug.
Neurology, 67 (7 Suppl 2): S18-23. [PMID:17030736]
4. Koch P, Akkari R, Brunschweiger A, Borrmann T, Schlenk M, Küppers P, Köse M, Radjainia H, Hockemeyer J, Drabczyńska A et al.. (2013)
1,3-Dialkyl-substituted tetrahydropyrimido[1,2-f]purine-2,4-diones as multiple target drugs for the potential treatment of neurodegenerative diseases.
Bioorg. Med. Chem., 21 (23): 7435-52. [PMID:24139167]