Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1456)
Drug Name
Safinamide mesylate
Synonyms
Safinamide mesilate; Safinamide mesylate; Safinamide mesylate (USAN); Safinamide mesylate [USAN]; UNII-YS90V3DTX0; Xadago (TN); YS90V3DTX0; safinamide methanesulfonate; (S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)-amino)propanamide methanesulfonate; (S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)amino)propanamide methanesulfonate; (S)-2-[[4-[(3-fluorobenzyl)oxy]benzyl]amino]propanamide methanesulfonate; 202825-46-5; FCE-28073; FCE-28073(R-isomer); NW 1015; NW-1015; PNU 151774E; PNU-151774E; R-isomer
Indication Parkinsonism [ICD11: 8A00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 398.5 Topological Polar Surface Area 127
Heavy Atom Count 27 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
3038502
CAS Number
202825-46-5
TTD Drug ID
D0XM1A
Formula
C18H23FN2O5S
Canonical SMILES
CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
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
InChIKey
YKOCHIUQOBQIAC-YDALLXLXSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
O-debenzylated safinamide DM001275 N. A. Oxidation - Dealkylation 1 [2] , [3]
Safinamide acid DM001274 N. A. Unclear 1 [2]
Safinamide mesylate DM001271
3038502
Oxidation - Dealkylation 1 [2]
Safinamide mesylate carboxylic acid DM001272 N. A. Oxidation - Oxidation 2 [2] , [3]
Safinamide mesylate Glucuronidated metabolites DM001273 N. A. Conjugation - Glucuronidation 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003340 Safinamide mesylate Safinamide mesylate Oxidation - Dealkylation CYP3A4 [2]
MR003341 Safinamide mesylate Safinamide acid Unclear Unclear [2]
MR003342 Safinamide mesylate O-debenzylated safinamide Oxidation - Dealkylation CYP3A4 [2], [3]
MR003338 Safinamide mesylate Safinamide mesylate carboxylic acid Oxidation - Oxidation CYP3A4 [2], [3]
MR003339 Safinamide mesylate carboxylic acid Safinamide mesylate Glucuronidated metabolites Conjugation - Glucuronidation Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2] , [3]
Monoamine oxidase type A (MAO-A) DME0044 Homo sapiens
AOFA_HUMAN
1.4.3.4
[4]
References
1 Safinamide Mesylate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Disposition and metabolism of safinamide, a novel drug for Parkinson's disease, in healthy male volunteers. Pharmacology. 2013;92(3-4):207-16.
3 DailyMed : Safinamide mesylate
4 Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase. J Med Chem. 2007 Oct 4;50(20):4909-16.

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