Details of the Drug

General Information of Drug (ID: DM84CTA)

Drug Name
6-Nitro-1,4-dihydro-quinoxaline-2,3-dione
Synonyms
6-nitroquinoxaline-2,3-diol; 1,4-Dihydro-6-nitroquinoxaline-2,3-dione; 6-Nitro-1,4-dihydroquinoxaline-2,3-dione; 6-Nitro-2,3-dihydroxyquinoxaline; 6-Nitro-2,3-quinoxalinediol; 2,3-Dihydroxy-6-nitroquinoxaline; 6-nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione; RYMLSFWVYNAKAR-UHFFFAOYSA-N; 6-Nitroquinoxaline-2,3(1H,4H)-dione; AC1N1YFP; 6-Nitro-1,4-dihydro-quinoxaline-2,3-dione; AC1Q1Y5W; Oprea1_565337; CHEMBL23044; ACMC-209g63; 6-nitro quinoxaline-2,3-dion; SCHEMBL1259529; SCHEMBL14385403; 6-Nitro-2,3-quinoxalinediol #
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) 207.14
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H5N3O4
IUPAC Name
6-nitro-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2
InChI
InChI=1S/C8H5N3O4/c12-7-8(13)10-6-3-4(11(14)15)1-2-5(6)9-7/h1-3H,(H,9,12)(H,10,13)
InChIKey
RYMLSFWVYNAKAR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4038142
TTD ID
D0J3EZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
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

References

1 5-(N-oxyaza)-7-substituted-1,4-dihydroquinoxaline-2,3-diones: novel, systemically active and broad spectrum antagonists for NMDA/glycine, AMPA, and... J Med Chem. 1997 Oct 24;40(22):3679-86.