Details of the Drug

General Information of Drug (ID: DMCKO6T)

Drug Name

2,3,7-trichloro-5-nitroquinoxaline (TNQX)

Synonyms

5-nitro-2,3,7-trichloroquinoxaline; 72558-70-4; 2,3,7-trichloro-5-nitroquinoxaline

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)

278.5

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H2Cl3N3O2
IUPAC Name: 2,3,7-trichloro-5-nitroquinoxaline
Canonical SMILES: C1=C(C=C(C2=C1N=C(C(=N2)Cl)Cl)[N+](=O)[O-])Cl
InChI: InChI=1S/C8H2Cl3N3O2/c9-3-1-4-6(5(2-3)14(15)16)13-8(11)7(10)12-4/h1-2H
InChIKey: DUBINERALUDRHX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Telomerase reverse transcriptase (TERT)	TTUJFD0	TERT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Telomerase reverse transcriptase (TERT)	DTT	TERT	8.59E-10	-0.08	-0.33

Molecular Expression Atlas (MEA)

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References

1	Identification of a quinoxaline derivative that is a potent telomerase inhibitor leading to cellular senescence of human cancer cells. Biochem J. 2003 Jul 15;373(Pt 2):523-9.