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Compound Detail

CHEMBL155265

DNQX
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O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155265
Name DNQX
Phase Preclinical
Structure Type MOL
InChI Key RWVIMCIPOAXUDG-UHFFFAOYSA-N
9
Targets
26
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

252.1
MW (Da)
0.86
ALogP
8
HBA
2
HBD
152.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H4N4O6
MW 252.14
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.69

Activity Summary

IC50 21 meas. best 6.7
Ki 5 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 6.7 6.4767 200.0 3
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 Ki 6.7 6.57 200.0 2
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 IC50 6.7 6.2483 200.0 6
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 Ki 6.44 6.44 360.0 1
Glutamate NMDA receptor
CHEMBL1907608
 Ki 6.41 6.41 390.0 1
Unchecked
CHEMBL612545
 Ki 6.41 6.41 390.0 1
Unchecked
CHEMBL612545
 IC50 6.3 6.0 500.0 2
Glutamate receptor ionotropic, kainate
CHEMBL2094119
 IC50 6.13 5.895 740.0 2
Glutamate [NMDA] receptor
CHEMBL2094124
 IC50 6.08 6.08 840.0 1
Glutamate NMDA receptor
CHEMBL1907608
 IC50 5.89 5.165 1300.0 4
Glutamate receptor ionotropic kainate
CHEMBL2109241
 IC50 5.54 5.54 2900.0 1
Plasmodium falciparum
CHEMBL364
 IC50 4.9 4.9 12589.2 1
Rattus norvegicus
CHEMBL376
 IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA IC50 = 200.0 nM 6.7 Binding affinity against AMPA receptor using [3H]- AMPA radioligand -
Glutamate receptor ionotropic, AMPA IC50 = 200.0 nM 6.7 Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... 7562904
Glutamate receptor ionotropic, AMPA IC50 = 200.0 nM 6.7 Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... 7562904
Glutamate receptor ionotropic AMPA IC50 = 200.0 nM 6.7 Tested for the affinity to the Ionotropic glutamate receptor AMPA using [3H]-AMP... -
Glutamate receptor ionotropic, AMPA Ki = 200.0 nM 6.7 Binding affinity against AMPA receptor in rat brain membrane using [3H]-AMPA as ... 8120865
Glutamate receptor ionotropic AMPA IC50 = 280.0 nM 6.55 Inhibition of Ionotropic glutamate receptor AMPA binding to human hippocampal ho... 7532226
Glutamate receptor ionotropic, AMPA Ki = 360.0 nM 6.44 Compound was tested for its ability to displace [3H]-AMPA from AMPA receptor 1382133
Glutamate receptor ionotropic AMPA Ki = 360.0 nM 6.44 Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA as a ... 8523401
Glutamate NMDA receptor Ki = 390.0 nM 6.41 Compound was tested for its ability to displace [3H]glycine from glycine site on... 1382133
Unchecked Ki = 390.0 nM 6.41 Binding affinity towards glycine site on the NMDA receptor was determined 8523401
Unchecked IC50 = 500.0 nM 6.3 Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane 20356304
Glutamate receptor ionotropic, kainate IC50 = 740.0 nM 6.13 Inhibition of [3H]- Kainate binding to Ionotropic glutamate receptor kainate in ... 8893837
Glutamate [NMDA] receptor IC50 = 840.0 nM 6.08 Tested for the affinity to the glycine site -NMDA receptor using [3H]Gly as radi... -
Glutamate receptor ionotropic AMPA IC50 = 930.0 nM 6.03 Displacement of [3H]AMPA from AMPA receptor (unknown origin) 34998058
Glutamate receptor ionotropic, AMPA IC50 = 930.0 nM 6.03 Inhibition of specific binding of [3H]AMPA to Ionotropic glutamate receptor AMPA... 9379437
Glutamate NMDA receptor IC50 = 1300.0 nM 5.89 In vitro inhibition of [3H]glycine at NMDA receptor 7990104
Glutamate receptor ionotropic AMPA IC50 = 1400.0 nM 5.85 Displacement of [3H]CNQX from AMPA receptor (unknown origin) 34998058
Unchecked IC50 = 2000.0 nM 5.7 Displacement of [3H]kainate from kainate receptor in rat cortical membrane 20356304
Glutamate receptor ionotropic, kainate IC50 = 2200.0 nM 5.66 Inhibition of specific binding of [3H]kainate to Ionotropic glutamate receptor k... 9379437
Glutamate receptor ionotropic AMPA IC50 = 2200.0 nM 5.66 Displacement of [3H]kainic acid from AMPA receptor (unknown origin) 34998058

Literature References

PubMed DOI Target Context # Activities
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic AMPA 3
20356304 10.1021/jm901688m Unchecked 2
20356304 10.1021/jm901688m Glutamate NMDA receptor 2
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
7562904 10.1021/jm00019a003 Glutamate receptor ionotropic, AMPA 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
8893837 10.1021/jm950632+ Glutamate receptor ionotropic, kainate 2
7532226 10.1021/jm00004a003 Glutamate receptor ionotropic AMPA 1
9379437 10.1021/jm950028z Rattus norvegicus 1
9379437 10.1021/jm950028z Glutamate receptor ionotropic, kainate 1
9544203 10.1021/jm970276q Glutamate receptor ionotropic, AMPA 1
8120865 10.1021/jm00030a006 Glutamate receptor ionotropic, AMPA 1
8893837 10.1021/jm950632+ Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(97)00239-4 Glutamate receptor ionotropic AMPA 1
8523401 10.1021/jm00025a005 Unchecked 1
8523401 10.1021/jm00025a005 Glutamate receptor ionotropic AMPA 1
1652018 10.1021/jm00112a012 Unchecked 1
- 10.1016/S0960-894X(00)80095-5 No relevant target 1
- 10.1016/S0960-894X(00)80095-5 Glutamate receptor ionotropic kainate 1

Data from ChEMBL 36 via Core Engine