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
ChEBI ID
CHEMBL23044
TTD ID
D0J3EZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.