Details of the Drug

General Information of Drug (ID: DMA50BQ)

Drug Name

5,7-Dibromo-1,4-dihydro-quinoxaline-2,3-dione

Synonyms

CHEMBL336017; 5,7-Dibromo-1,4-dihydro-2,3-quinoxalinedione; 153504-78-0; 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione; Oprea1_150165; SCHEMBL2638792; SCHEMBL8557193; KAMOVQVEAFPAHG-UHFFFAOYSA-N

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

319.94

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C8H4Br2N2O2
IUPAC Name: 5,7-dibromo-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES: C1=C(C=C(C2=C1NC(=O)C(=O)N2)Br)Br
InChI: InChI=1S/C8H4Br2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)
InChIKey: KAMOVQVEAFPAHG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10591750
TTD ID: D07DHN

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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).