Details of the Drug

General Information of Drug (ID: DMURJ34)

• Drug Name: 6-Chloro-1,4-dihydro-quinoxaline-2,3-dione
• Synonyms: 6-chloroquinoxaline-2,3-diol; 6639-79-8; 2,3-Dihydroxy-6-chloroquinoxaline; 6-Chloro-1,4-dihydroquinoxaline-2,3-dione; 6-Chloroquinoxaline-2,3(1H,4H)-dione; 6-Chloro-2,3-dihydroxyquinoxaline; 6-Chloro-1,2,3,4-tetrahydroquinoxaline-2,3-dione; 169-14-2; 2,3-Quinoxalinedione, 6-chloro-1,4-dihydro-; CHEMBL21641; 6-CHLORO-2,3-DIOXO-1,2,3,4-TETRAHYDROQUINOXALINE; 6-chloro-1,4-dihydro-2,3-quinoxalinedione; Oprea1_205811; 2,3-Quinoxalinediol, 6-chloro-; EINECS 229-647-9; NSC 48940; PubChem15426; 2, 6-chloro-; AC1Q3ORE

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); 196.59
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H5ClN2O2
  IUPAC Name: 6-chloro-1,4-dihydroquinoxaline-2,3-dione
  Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=O)C(=O)N2
  InChI: InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
  InChIKey: RNOLFZACEWWIHP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 81143
  CAS Number: 6639-79-8
  TTD ID: D07QBQ

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] 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.