Details of the Drug

General Information of Drug (ID: DMQXPA5)

Drug Name
DNQX
Synonyms
dnqx; 2379-57-9; 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione; FG-9041; FG 9041; UNII-62T278S1MX; 6,7-Dinitroquinoxaline-2,3-dione (DNQX); 2,3-Quinoxalinedione, 1,4-dihydro-6,7-dinitro-; 6,7-Dinitroquinoxaline-2,3(1H,4H)-dione; 62T278S1MX; 6,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione; SR-01000075442; 1ftl; Tocris-0189; AC1MZKE9; Lopac-D-0540; Biomol-NT_000182; Oprea1_127694; Lopac0_000345; MLS000705107; SCHEMBL594575; SCHEMBL8128055; BPBio1_001176; CHEMBL155265; C8H4N4O6; CHEBI:93492; CTK8F7031; DTXSID60178476; MolPort-003-846-931
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 252.14
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H4N4O6
IUPAC Name
6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2
InChI
InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)
InChIKey
RWVIMCIPOAXUDG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3899541
ChEBI ID
CHEMBL155265
CAS Number
2379-57-9
UNII
62T278S1MX
DrugBank ID
DB03759
TTD ID
D05KQC
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Inhibitor [2]
Glutamate receptor AMPA 1 (GRIA1) TTVPQTF GRIA1_HUMAN Inhibitor [2]
Glutamate receptor ionotropic kainate 1 (GRIK1) TT0MYE2 GRIK1_HUMAN Inhibitor [2]
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 1.46E-06 -0.63 -0.78
Glutamate receptor AMPA (GRIA) DTT NO-GeName 1.79E-04 -0.69 -0.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Kynurenic acid derivatives. Structure-activity relationships for excitatory amino acid antagonism and identification of potent and selective antago... J Med Chem. 1991 Apr;34(4):1243-52.
2 Synthesis of chiral 1-(2'-amino-2'-carboxyethyl)-1,4-dihydro-6,7-quinoxaline-2,3-diones: alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionate recep... J Med Chem. 1996 Oct 25;39(22):4430-8.