Details of the Drug

General Information of Drug (ID: DMTL4S9)

Drug Name

5,6,7-Trichloro-1,4-dihydro-quinoxaline-2,3-dione

Synonyms

5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione; CHEMBL43846; 172215-97-3; 5,6,7-Trichloro-1,4-dihydro-quinoxaline-2,3-dione; SCHEMBL8904175

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)

265.5

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C8H3Cl3N2O2
IUPAC Name: 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES: C1=C2C(=C(C(=C1Cl)Cl)Cl)NC(=O)C(=O)N2
InChI: InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKey: MVCXAPXDPCEJBN-UHFFFAOYSA-N

Cross-matching ID

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)

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).