safinamide   Click here for help

GtoPdb Ligand ID: 8291

Synonyms: EMD 1195686 | EMD-1195686 | Xadago®
Approved drug
safinamide is an approved drug (EMA (2015), FDA (2017))
Compound class: Synthetic organic
Comment: Safinamide is an alpha-aminoamide. The clinically administered formulation may be the mesylate salt (PubChem CID 3038502).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 64.35
Molecular weight 302.14
XLogP 2.5
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)C(NCc1ccc(cc1)OCc1cccc(c1)F)C
Isomeric SMILES NC(=O)[C@@H](NCc1ccc(cc1)OCc1cccc(c1)F)C
InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2015), FDA (2017))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8013 safinamide
Synonyms Click here for help
EMD 1195686 | EMD-1195686 | Xadago®
Database Links Click here for help
CAS Registry No. 133865-89-1
ChEMBL Ligand CHEMBL396778
DrugCentral Ligand 4921
GtoPdb PubChem SID 252166503
PubChem CID 131682
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SynPHARM 81929 (in complex with Monoamine oxidase B)
81928 (in complex with Monoamine oxidase B)
UniChem Compound Search for chemical match using the InChIKey NEMGRZFTLSKBAP-LBPRGKRZSA-N
UniChem Connectivity Search for chemical match using the InChIKey NEMGRZFTLSKBAP-LBPRGKRZSA-N
Wikipedia Safinamide