Details of the Drug

General Information of Drug (ID: DMIFKUX)

Drug Name
[3H]CNQX
Synonyms
6-Cyano-7-nitroquinoxaline-2,3-dione; CNQX; 115066-14-3; 6-CYANO-7-NITROQUINOXALINE-2,3-DIONE; 7-Nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile; UNII-6OTE87SCCW; FG 9065; 6OTE87SCCW; FG-9065; 6-Cyano-2,3-dihydroxy-7-nitroquinoxaline; CHEBI:34468; 1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile; 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile; 6-Quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo-; ST50405216; 2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile; FG9065; AC1MWAKF; Tocris-0190; Biomol-NT_000200; 6-cyano-7-nitroquinoxaline-2,3-dione
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 232.15
Topological Polar Surface Area (xlogp) 0
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C9H4N4O4
IUPAC Name
7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
Canonical SMILES
C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
InChI
InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
InChIKey
RPXVIAFEQBNEAX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3721046
ChEBI ID
CHEBI:34468
CAS Number
115066-14-3
TTD ID
D0E5UQ

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 [3]
Glutamate receptor AMPA 1 (GRIA1) TTVPQTF GRIA1_HUMAN Antagonist [4], [3]
Glutamate receptor AMPA 2 (GRIA2) TT9HLZ0 GRIA2_HUMAN Antagonist [5]
Glutamate receptor AMPA 3 (GRIA3) TT82EZV GRIA3_HUMAN Modulator [6]
Glutamate receptor AMPA 4 (GRIA4) TTPJR0G GRIA4_HUMAN Modulator [7]
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 URL: 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: 4081).
2 URL: 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: 5475).
3 Structure-activity relationship studies on N3-substituted willardiine derivatives acting as AMPA or kainate receptor antagonists. J Med Chem. 2006 Apr 20;49(8):2579-92.
4 URL: 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. (Target id: 444).
5 URL: 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. (Target id: 445).
6 URL: 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. (Target id: 446).
7 URL: 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. (Target id: 447).
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