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
CHEMBL284028
CAS Number
25983-13-5
TTD ID
D0S6TW
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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]
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).