Compound Detail

CHEMBL267276

TQX-173

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O=C(O)c1nc2c(O)nc3cc(Cl)c(-n4cnnc4)cc3n2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL267276
Name	TQX-173
Phase	Preclinical
Structure Type	MOL
InChI Key	QYMZRTSHYZACQA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

331.7

MW (Da)

0.92

ALogP

HBA

HBD

131.3

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C12H6ClN7O3
MW	331.68
Aromatic Rings	4
Heavy Atoms	23
NP-Likeness	-1.57

Activity Summary

IC50 18 meas. best 5.64

Ki 10 meas. best 6.85

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	Ki	6.85	6.85	140.0	4
Glutamate receptor ionotropic AMPA CHEMBL2096670	Ki	6.85	5.66	140.0	2
Glutamate receptor ionotropic, AMPA CHEMBL2096617	IC50	5.64	5.64	2300.0	1
Glutamate receptor ionotropic AMPA CHEMBL2096670	IC50	5.64	5.29	2300.0	2
Mus musculus CHEMBL375	IC50	5.64	4.99	2300.0	6
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.95	4.9425	11300.0	4
Rattus norvegicus CHEMBL376	IC50	4.55	4.36	28000.0	2
Glutamate NMDA receptor CHEMBL1907608	Ki	4.47	4.47	33500.0	1
Glutamate receptor ionotropic, NMDA 1 CHEMBL330	Ki	4.47	4.47	33500.0	2
Unchecked CHEMBL612545	Ki	4.47	4.47	33500.0	1
Glutamate [NMDA] receptor CHEMBL2094124	IC50	4.34	4.34	46000.0	1
Unchecked CHEMBL612545	IC50	4.34	4.34	46000.0	1
Glutamate NMDA receptor CHEMBL1907608	IC50	4.17	4.17	68000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	Ki	=	140.0	nM	6.85	Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA in rat cortical...	11855983
Glutamate receptor ionotropic, AMPA	Ki	=	140.0	nM	6.85	Compound was evaluated for inhibition of binding of [3H]AMPA to specific binding...	11052786
Glutamate receptor ionotropic, AMPA	Ki	=	140.0	nM	6.85	Binding affinity towards ionotropic glutamate receptor (high-affinity) of rat co...	14695840
Glutamate receptor ionotropic, AMPA	Ki	=	140.0	nM	6.85	Binding affinity at ionotropic glutamate receptor AMPA in rat cortical membranes...	11543685
Glutamate receptor ionotropic AMPA	Ki	=	140.0	nM	6.85	Displacement of [3H]AMPA from AMPA receptor (unknown origin)	34998058
Mus musculus	IC50	=	2300.0	nM	5.64	Ability to inhibit depolarizations induced by AMPA in mouse cortical wedge prepa...	11052786
Mus musculus	IC50	=	2300.0	nM	5.64	Concentration necessary for 50% inhibition of depolarization induced by 5 uM S-A...	14695840
Glutamate receptor ionotropic AMPA	IC50	=	2300.0	nM	5.64	Antagonist activity at AMPA receptor (unknown origin) assessed as AMPA-induced d...	34998058
Glutamate receptor ionotropic, AMPA	IC50	=	2300.0	nM	5.64	Antagonism at ionotropic glutamate receptor AMPA in mouse cortical wedge prepara...	11543685
Mus musculus	IC50	=	2300.0	nM	5.64	Concentration that inhibits by 50% depolarization induced by 5M AMPA	11855983
Glutamate receptor ionotropic, kainate	IC50	=	11300.0	nM	4.95	Inhibition concentration towards high-affinity ionotropic glutamate receptor kai...	14695840
Glutamate receptor ionotropic, kainate	IC50	=	11600.0	nM	4.94	Inhibition of specific binding at 100 uM by displacing [3H]KA, from specific bin...	11855983
Glutamate receptor ionotropic, kainate	IC50	=	11600.0	nM	4.94	Inhibition of [3H]KA binding to kainate receptor of rat brain membranes	11543685
Glutamate receptor ionotropic AMPA	IC50	=	11600.0	nM	4.94	Displacement of [3H]kainic acid from AMPA receptor (unknown origin)	34998058
Glutamate receptor ionotropic, kainate	IC50	=	11600.0	nM	4.94	Compound was evaluated for inhibition of binding of [3H]KA to specific binding a...	11052786
Rattus norvegicus	IC50	=	28000.0	nM	4.55	Concentration that inhibits 50% S-AMPA stimulated (50 uM) [3H]norepinephrine rel...	14695840
Glutamate NMDA receptor	Ki	=	33500.0	nM	4.47	Ability to displace [3H]glycine from NMDA receptor in rat corticaln membranes	11543685
Glutamate receptor ionotropic, NMDA 1	Ki	=	33500.0	nM	4.47	Inhibition by displacing [3H]-Glycine of N-methyl-D-aspartate glutamate receptor...	11855983
Unchecked	Ki	=	33500.0	nM	4.47	Compound was evaluated for inhibition of binding of [3H]glycine to specific bind...	11052786
Glutamate receptor ionotropic, NMDA 1	Ki	=	33500.0	nM	4.47	Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinit...	14695840

Literature References

PubMed	DOI	Target Context	# Activities
34998058	10.1016/j.ejmech.2021.114085	Glutamate receptor ionotropic AMPA	4
14695840	10.1021/jm030906q	Mus musculus	2
14695840	10.1021/jm030906q	Rattus norvegicus	2
11543685	10.1021/jm010862q	Glutamate NMDA receptor	2
11052786	10.1021/jm0009686	Mus musculus	2
11543685	10.1021/jm010862q	Glutamate receptor ionotropic, AMPA	2
11855983	10.1021/jm010995b	Mus musculus	2
11855983	10.1021/jm010995b	Glutamate receptor ionotropic, NMDA 1	1
34998058	10.1016/j.ejmech.2021.114085	Glutamate [NMDA] receptor	1
11543685	10.1021/jm010862q	Unchecked	1
11543685	10.1021/jm010862q	Glutamate receptor ionotropic, kainate	1
11855983	10.1021/jm010995b	Glutamate receptor ionotropic, kainate	1
11855983	10.1021/jm010995b	Glutamate receptor ionotropic, AMPA	1
14695840	10.1021/jm030906q	Glutamate receptor ionotropic, AMPA	1
11052786	10.1021/jm0009686	Glutamate receptor ionotropic, kainate	1
11052786	10.1021/jm0009686	Unchecked	1
11052786	10.1021/jm0009686	Glutamate receptor ionotropic, AMPA	1
14695840	10.1021/jm030906q	Glutamate receptor ionotropic, kainate	1
14695840	10.1021/jm030906q	Glutamate receptor ionotropic, NMDA 1	1

Data from ChEMBL 36 via Core Engine