Drug General Information
Drug ID
D08BUB
Former ID
DNC013332
Drug Name
N2-{4-[(4-nitrobenzyl)oxy]benzyl}glycinamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529025]
Structure
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2D MOL

3D MOL

Formula
C16H17N3O4
Canonical SMILES
C1=CC(=CC=C1CNCC(=O)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
1S/C16H17N3O4/c17-16(20)10-18-9-12-3-7-15(8-4-12)23-11-13-1-5-14(6-2-13)19(21)22/h1-8,18H,9-11H2,(H2,17,20)
InChIKey
RHNXUKDDIOAEGX-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Amine oxidase [flavin-containing] B Target Info Inhibitor [529025]
BioCyc Pathway Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
KEGG Pathway Glycine, serine and threonine metabolism
Arginine and proline metabolism
Histidine metabolism
Tyrosine metabolism
Phenylalanine metabolism
Tryptophan metabolism
Drug metabolism - cytochrome P450
Metabolic pathways
Serotonergic synapse
Dopaminergic synapse
Cocaine addiction
Amphetamine addiction
Alcoholism
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
WikiPathways Tryptophan metabolism
Dopamine metabolism
Phase 1 - Functionalization of compounds
References
Ref 529025J Med Chem. 2007 Oct 4;50(20):4909-16. Epub 2007 Sep 7.Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase.
Ref 529025J Med Chem. 2007 Oct 4;50(20):4909-16. Epub 2007 Sep 7.Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase.

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