SAFINAMIDE MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII YS90V3DTX0
Parent Compound: SAFINAMIDE

Structure

InChI Key YKOCHIUQOBQIAC-YDALLXLXSA-N
Smiles CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChI
InChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FN2O5S
Molecular Weight 398.46
AlogP 2.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 64.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Monoamine oxidase B inhibitor INHIBITOR FDA Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- 19.7 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 19.7 - - -

Target Conservation

Protein: Monoamine oxidase B
Description: Amine oxidase [flavin-containing] B
Organism : Homo sapiens
P27338 ENSG00000069535

Cross References

Resources Reference
ChEMBL CHEMBL48582
FDA SRS YS90V3DTX0
PubChem 3038502
SureChEMBL SCHEMBL1665715
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