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

General Information of Drug (ID: DR5016)
Drug Name
Ralfinamide
Synonyms Ralfinamida; Ralfinamide [INN]; NW 1029; NW-1029; Ralfinamida [INN-Spanish]; (2S)-2-(4-(2-Fluorobenzyloxy)benzylamino)propanamide; (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Indication Neuropathic pain [ICD11: 8E43] Phase 3 [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
5745207
CAS Number
133865-88-0
TTD Drug ID
D00GEG
Formula
C17H19FN2O2
Canonical SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F
InChI
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKey
BHJIBOFHEFDSAU-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
Deaminated acid metabolite NW-1799 DM016284
68448883
Unclear - Unclear 1 [2]
Mono-hydroxyralfinamide DM018231 N. A. Unclear - Unclear 1 [2]
N-dealkylated acid NW-1716 DM015506
6462846
Unclear - Unclear 1 [2]
2-[4-hydroxybenzylamino]propanamide NW-1199 DM016069
43402311
Unclear - Unclear 2 [2]
N-dealkylated acid NW-1716 DM015506
6462846
Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010171 Ralfinamide Mono-hydroxyralfinamide Unclear - Unclear CYP3A4 [2]
MR010173 Ralfinamide Deaminated acid metabolite NW-1799 Unclear - Unclear FAAH [2]
MR010175 Ralfinamide N-dealkylated acid NW-1716 Unclear - Unclear MAOA [2]
MR010174 Deaminated acid metabolite NW-1799 N-dealkylated acid NW-1716 Unclear - Unclear Unclear [2]
MR010172 Mono-hydroxyralfinamide 2-[4-hydroxybenzylamino]propanamide NW-1199 Unclear - Unclear CYP3A4 [2]
References
1 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
2 Disposition and metabolism of ralfinamide, a novel Na-channel blocker, in healthy male volunteers

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