Details of the Drug

General Information of Drug (ID: DMZA6X3)

Drug Name

TQX-173

Synonyms

TQX-173; CHEMBL267276; SCHEMBL2038719; BDBM50092637; 7-Chloro-4-oxo-8-[1,2,4]triazol-4-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

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)

331.67

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C12H6ClN7O3
IUPAC Name: 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
Canonical SMILES: C1=C2C(=CC(=C1Cl)N3C=NN=C3)N4C(=NC(=N4)C(=O)O)C(=O)N2
InChI: InChI=1S/C12H6ClN7O3/c13-5-1-6-8(2-7(5)19-3-14-15-4-19)20-10(11(21)16-6)17-9(18-20)12(22)23/h1-4H,(H,16,21)(H,22,23)
InChIKey: QYMZRTSHYZACQA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9840540
TTD ID: D05ERF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic kainate 1 (GRIK1)	TT0MYE2	GRIK1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis, ionotropic glutamate receptor binding affinity, and structure-activity relationships of a new set of 4,5-dihydro-8-heteroaryl-4-oxo-1,2,... J Med Chem. 2001 Sep 13;44(19):3157-65.