Drug Information

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
Download
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
3272524
PubChem Substance ID
586260, 3153212, 4634329, 7980097, 9251954, 11113470, 14777739, 15397501, 26751693, 26759268, 34646396, 47216894, 47349363, 47662425, 50066260, 50251812, 53789223, 57356141, 72276108, 85245460, 85787793, 85788629, 91615359, 103509729, 109613894, 111881947, 118313821, 118508041, 125338989, 129406224, 134340713, 135061214, 135698079, 137009451, 137014386, 141003654, 142845642, 143245648, 143438594, 143552884, 152035117, 162022609, 162222865, 163687583, 164805409, 170539125, 178101081, 179293796, 223441583, 224912602
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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