Details of the Drug

General Information of Drug (ID: DMG4UCX)

• Drug Name: 5,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione
• Synonyms: 5,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione; CHEMBL323335; 136529-54-9; Biomol-NT_000208; SCHEMBL8123057; SCHEMBL8114607; SCHEMBL4706926; BPBio1_001268; BDBM50038162; NCGC00163270-01; 5,7-Dinitroquinoxaline-2,3(1H,4H)-dione

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #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: 5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
  Canonical SMILES: C1=C(C=C(C2=C1NC(=O)C(=O)N2)[N+](=O)[O-])[N+](=O)[O-]
  InChI: InChI=1S/C8H4N4O6/c13-7-8(14)10-6-4(9-7)1-3(11(15)16)2-5(6)12(17)18/h1-2H,(H,9,13)(H,10,14)
  InChIKey: YUVRBZPHIDJESL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16760018
  TTD ID: D0P4RL

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]

References

• [1] Amino acid bioisosteres: design of 2-quinolone derivatives as glycine-site N-methyl-D-aspartate receptor antagonists, Bioorg. Med. Chem. Lett. 3(2):299-304 (1993).