Details of the Drug

General Information of Drug (ID: DMMX1QJ)

Drug Name
6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione
Synonyms
25983-13-5; 6,7-Dichloroquinoxaline-2,3(1H,4H)-dione; DCQX; 6,7-dichloroquinoxaline-2,3-diol; 6,7-DICHLORO-1,4-DIHYDRO-2,3-QUINOXALINEDIONE; 6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione; 2,3-Dihydroxy-6,7-dichloroquinoxaline; 6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione; CHEMBL284028; Spectrum_001661; ACMC-209gnv; SpecPlus_000650; Lopac-D-133; AC1L1CDC; Spectrum5_001426; Spectrum4_000630; Spectrum3_001668; Spectrum2_000537; Biomol-NT_000181; AC1Q3Q7M; Lopac0_000418; KBioSS_002141; KBioGR_001220; BSPBio_003455; Benzil-related co
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) 231.03
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C8H4Cl2N2O2
IUPAC Name
6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES
C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2
InChI
InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
InChIKey
AVBSIKMUAFYZAV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1845
ChEBI ID
CHEBI:113553
CAS Number
25983-13-5
TTD ID
D0S6TW

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 1-Hydroxy-1,4-dihydroquinoxaline-2,3-diones: Novel antagonists at NMDA receptor glycine sites, Bioorg. Med. Chem. Lett. 6(4):439-440 (1996).