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

General Information of Drug (ID: DR5863)
Drug Name
Safinamide
Synonyms
133865-89-1; Xadago; (S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)amino)propanamide; Fce-26743; UNII-90ENL74SIG; (2S)-2-[[4-[(3-Fluorophenyl)methoxy]phenyl]methylamino]propanamide; EMD 1195686; 90ENL74SIG; CHEMBL396778; EMD-1195686; AK-77847; 2(s)-(4-(3-fluorobenzyloxy)benzylamino)propionamide; CHEMBL48582; Safinamide [USAN:INN]; 2-(4-(3-Fluorobenzyloxy)benzylamino)propionamide; AC1L2ZLK; Safinamide (USAN/INN); (S)-2-(((4-((3-Fluorophenyl)methoxy)phenyl)methyl)amino)propanamide; EC 603-772-2; SCHEMBL69350; Fce 26743; ON 019190.Na
Indication Parkinsonism [ICD11: 8A00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 302.34 Topological Polar Surface Area 64.4
Heavy Atom Count 22 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
131682
ChEBI ID
CHEBI:134718
CAS Number
133865-89-1
TTD Drug ID
D0TV6I
Formula
C17H19FN2O2
Canonical SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
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
InChIKey
NEMGRZFTLSKBAP-LBPRGKRZSA-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
NW-1153 DM016283
68446549
Unclear - Unclear 1 [2]
Safinamide Metabolite M1 DM015948
16772364
Unclear - Unclear 1 [2]
Safinamide Metabolite M1 DM015948
16772364
Unclear - Unclear 2 [2]
Safinamide Metabolite M2 DM015350
880119
Unclear - Unclear 2 [2]
NW-1689 DM015379
2783081
Unclear - Unclear 3 [2]
Safinamide Metabolite M2 DM015350
880119
Unclear - Unclear 3 [2]
NW-1689 DM015379
2783081
Unclear - Unclear 4 [2]
NW-1689 acyl glucuronide DM018580 N. A. Unclear - Unclear 4 [2]
NW-1689 acyl glucuronide DM018580 N. A. Unclear - Unclear 5 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010675 Safinamide NW-1153 Unclear - Unclear Unclear [2]
MR010681 Safinamide Safinamide Metabolite M1 Unclear - Unclear MAO-A ... [2]
MR010676 NW-1153 Safinamide Metabolite M1 Unclear - Unclear Unclear [2]
MR010677 NW-1153 Safinamide Metabolite M2 Unclear - Unclear MAO-A [2]
MR014064 Safinamide Metabolite M1 Safinamide Metabolite M2 Unclear - Unclear MAO-A [2]
MR010678 Safinamide Metabolite M1 Safinamide Metabolite M2 Unclear - Unclear MAO-A [2]
MR014062 Safinamide Metabolite M2 NW-1689 Unclear - Unclear ALDH [2]
MR014063 NW-1689 NW-1689 acyl glucuronide Unclear - Unclear Unclear [2]
MR014065 NW-1689 NW-1689 acyl glucuronide Unclear - Unclear UGT [2]
MR010679 Safinamide Metabolite M2 NW-1689 Unclear - Unclear ALDH [2]
MR010680 NW-1689 NW-1689 acyl glucuronide Unclear - Unclear Unclear [2]
⏷ Show the Full List of 11 MR(s)
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]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2018
2 Effects of ketoconazole treatment on the pharmacokinetics of safinamide and its plasma metabolites in healthy adult subjects

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