Drug General Information
Drug ID
D02VKC
Former ID
DNC003508
Drug Name
NBQX
Drug Type
Small molecular drug
Indication Neurological disease [ICD9: 338, 338.2, 410, 782.3,780; ICD10:I21, I22, R52, R52.1-R52.2, R60.9, G89] Phase 1 [467600]
Structure
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2D MOL

3D MOL

Formula
C12H8N4O6S
InChI
InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
InChIKey
UQNAFPHGVPVTAL-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) NMDA receptor subunit NR1 Target Info Inhibitor [526134]
Glutamate receptor, ionotropic kainate 1 Target Info Inhibitor [525786]
Glutamate receptor AMPA subtype Target Info Inhibitor [528721]
Glutamate [NMDA] receptor subunit epsilon 1 Target Info Inhibitor [526134]
Glutamate receptor 1 Target Info Inhibitor [528453]
Glutamate [NMDA] receptor subunit epsilon 2 Target Info Inhibitor [526134]
KEGG Pathway Ras signaling pathway
Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Circadian entrainment
Long-term potentiation
Glutamatergic synapse
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)
Huntington's disease
Cocaine addiction
Amphetamine addiction
Nicotine addiction
Alcoholismhsa04080:Neuroactive ligand-receptor interaction
Glutamatergic synapsehsa04014:Ras signaling pathway
Dopaminergic synapse
Alcoholism
Systemic lupus erythematosushsa04024:cAMP signaling pathway
Retrograde endocannabinoid signaling
Long-term depression
Nicotine addictionhsa04014:Ras signaling pathway
Systemic lupus erythematosus
PANTHER Pathway Huntington disease
Ionotropic glutamate receptor pathway
Metabotropic glutamate receptor group III pathway
Metabotropic glutamate receptor group I pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00029:Huntington disease
Metabotropic glutamate receptor group I pathwayP00029:Huntington disease
Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00037:Ionotropic glutamate receptor pathway
Metabotropic glutamate receptor group III pathwayP00029:Huntington disease
Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Pathway Interaction Database Reelin signaling pathwayephbfwdpathway:EPHB forward signalingerbb4_pathway:ErbB4 signaling events
Reelin signaling pathway
Reactome EPHB-mediated forward signaling
Unblocking of NMDA receptor, glutamate binding and activation
CREB phosphorylation through the activation of CaMKII
Ras activation uopn Ca2+ infux through NMDA receptor
RAF/MAP kinase cascadeR-HSA-438066:Unblocking of NMDA receptor, glutamate binding and activation
RAF/MAP kinase cascadeR-HSA-204005:COPII (Coat Protein 2) Mediated Vesicle Transport
Trafficking of AMPA receptors
Trafficking of GluR2-containing AMPA receptors
Cargo concentration in the ERR-HSA-3928662:EPHB-mediated forward signaling
RAF/MAP kinase cascade
WikiPathways SIDS Susceptibility Pathways
Hypothetical Network for Drug Addiction
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Spinal Cord Injury
BDNF signaling pathway
Alzheimers DiseaseWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic CellWP666:Hypothetical Network for Drug Addiction
Alzheimers DiseaseWP666:Hypothetical Network for Drug Addiction
Amyotrophic lateral sclerosis (ALS)
BDNF signaling pathwayWP666:Hypothetical Network for Drug Addiction
References
Ref 467600(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4264).
Ref 525786Bioorg Med Chem Lett. 2000 May 15;10(10):1133-7.4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with in vivo activity.
Ref 526134J Med Chem. 2001 Sep 13;44(19):3157-65.Synthesis, ionotropic glutamate receptor binding affinity, and structure-activity relationships of a new set of 4,5-dihydro-8-heteroaryl-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylates analogues of TQX-173.
Ref 528453J Med Chem. 2006 Oct 5;49(20):6015-26.Structural investigation of the 7-chloro-3-hydroxy-1H-quinazoline-2,4-dione scaffold to obtain AMPA and kainate receptor selective antagonists. Synthesis, pharmacological, and molecular modeling studies.
Ref 528721J Med Chem. 2007 Apr 5;50(7):1558-70. Epub 2007 Mar 10.Synthesis and pharmacological characterization of N3-substituted willardiine derivatives: role of the substituent at the 5-position of the uracil ring in the development of highly potent and selective GLUK5 kainate receptor antagonists.

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