Drug General Information |
Drug ID |
D00OLX
|
Former ID |
DNC010360
|
Drug Name |
8-(3-Methylbenzyloxy)caffeine
|
Drug Type |
Small molecular drug
|
Indication |
Discovery agent
|
Investigative |
[1]
|
Structure |
|
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2D MOL
3D MOL
|
Formula |
C16H18N4O3
|
Canonical SMILES |
CC1=CC(=CC=C1)COC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C
|
InChI |
1S/C16H18N4O3/c1-10-6-5-7-11(8-10)9-23-15-17-13-12(18(15)2)14(21)20(4)16(22)19(13)3/h5-8H,9H2,1-4H3
|
InChIKey |
AFSVTGXZVYXITM-UHFFFAOYSA-N
|
PubChem Compound ID |
|
Target and Pathway |
Target(s) |
Amine oxidase [flavin-containing] B |
Target Info |
Inhibitor |
[1]
|
Amine oxidase [flavin-containing] A |
Target Info |
Inhibitor |
[1]
|
BioCyc Pathway
|
Superpathway of tryptophan utilization
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Tryptophan degradation via tryptamine
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Dopamine degradation
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Putrescine degradation III
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Noradrenaline and adrenaline degradationPWY66-401:Superpathway of tryptophan utilization
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Noradrenaline and adrenaline degradation
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Serotonin degradation
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Superpathway of melatonin degradation
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Melatonin degradation II
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KEGG Pathway
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Glycine, serine and threonine metabolism
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Arginine and proline metabolism
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Histidine metabolism
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Tyrosine metabolism
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Phenylalanine metabolism
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Tryptophan metabolism
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Drug metabolism - cytochrome P450
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Metabolic pathways
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Serotonergic synapse
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Dopaminergic synapse
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Cocaine addiction
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Amphetamine addiction
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Alcoholismhsa00260:Glycine, serine and threonine metabolism
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Alcoholism
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NetPath Pathway
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IL4 Signaling Pathway
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PANTHER Pathway
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Adrenaline and noradrenaline biosynthesis
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5-Hydroxytryptamine degredation
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Dopamine receptor mediated signaling pathwayP00001:Adrenaline and noradrenaline biosynthesis
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Dopamine receptor mediated signaling pathway
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Pathway Interaction Database
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Alpha-synuclein signaling
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PathWhiz Pathway
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Histidine Metabolism
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Tyrosine Metabolism
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Glycine and Serine Metabolism
|
Reactome
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Norepinephrine Neurotransmitter Release Cycle
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WikiPathways
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Tryptophan metabolism
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Dopamine metabolism
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Phase 1 - Functionalization of compoundsWP706:SIDS Susceptibility Pathways
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Biogenic Amine Synthesis
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Oxidative Stress
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Phase 1 - Functionalization of compounds
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Neurotransmitter Release Cycle
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Neurotransmitter Clearance In The Synaptic Cleft
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Serotonin Transporter Activity
|
References |
REF 1 | Bioorg Med Chem. 2010 Feb;18(3):1018-28. Epub 2010 Jan 6.Inhibition of monoamine oxidase by 8-benzyloxycaffeine analogues. |