Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02TFD
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| Former ID |
DNC014139
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| Drug Name |
(7-Benzyloxy-2-oxo-2H-chromen-4-yl)acetonitrile
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [530434] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C18H13NO3
|
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| Canonical SMILES |
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CC(=O)O3)CC#N
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| InChI |
1S/C18H13NO3/c19-9-8-14-10-18(20)22-17-11-15(6-7-16(14)17)21-12-13-4-2-1-3-5-13/h1-7,10-11H,8,12H2
|
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| InChIKey |
QXYWJHCXXQZBTQ-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Amine oxidase [flavin-containing] B | Target Info | Inhibitor | [530434] | |
| Amine oxidase [flavin-containing] A | Target Info | Inhibitor | [530434] | ||
| BioCyc Pathway | Superpathway of tryptophan utilization | ||||
| Tryptophan degradation via tryptamine | |||||
| Dopamine degradation | |||||
| Putrescine degradation III | |||||
| Noradrenaline and adrenaline degradationPWY66-401:Superpathway of tryptophan utilization | |||||
| Noradrenaline and adrenaline degradation | |||||
| Serotonin degradation | |||||
| Superpathway of melatonin degradation | |||||
| Melatonin degradation II | |||||
| 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 | |||||
| Alcoholismhsa00260:Glycine, serine and threonine metabolism | |||||
| Alcoholism | |||||
| NetPath Pathway | IL4 Signaling Pathway | ||||
| Pathway Interaction Database | Alpha-synuclein signaling | ||||
| WikiPathways | Tryptophan metabolism | ||||
| Dopamine metabolism | |||||
| Phase 1 - Functionalization of compoundsWP706:SIDS Susceptibility Pathways | |||||
| Biogenic Amine Synthesis | |||||
| Oxidative Stress | |||||
| Phase 1 - Functionalization of compounds | |||||
| Neurotransmitter Release Cycle | |||||
| Neurotransmitter Clearance In The Synaptic Cleft | |||||
| Serotonin Transporter Activity | |||||
| References | |||||
| Ref 530434 | J Med Chem. 2009 Nov 12;52(21):6685-706.Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B inhibitor. | ||||
| Ref 530434 | J Med Chem. 2009 Nov 12;52(21):6685-706.Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B inhibitor. | ||||
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