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Compound Detail

CHEMBL311389

7-CHLOROKYNURENIC ACID
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O=C(O)c1cc(O)c2ccc(Cl)cc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311389
Name 7-CHLOROKYNURENIC ACID
Phase Preclinical
Structure Type MOL
InChI Key UAWVRVFHMOSAPU-UHFFFAOYSA-N

Known Names

7-chlorokynurenic acid Kynurenic acid, 7-chloro- NSC-149792
3
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

223.6
MW (Da)
2.29
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C10H6ClNO3
MW 223.62
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.65

Activity Summary

IC50 13 meas. best 6.5
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.5 6.3643 320.0 7
Rattus norvegicus
CHEMBL376
 IC50 5.1 5.1 8000.0 1
Unchecked
CHEMBL612545
 IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 320.0 nM 6.5 Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... 9406596
Glutamate NMDA receptor IC50 = 320.0 nM 6.5 Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membr... -
Glutamate NMDA receptor IC50 = 400.0 nM 6.4 Activity against rat cortical and hippocampal membrane strychnine-insensitive N-... 2146391
Glutamate NMDA receptor IC50 = 400.0 nM 6.4 Binding activity against N-methyl-D-aspartate glutamate receptor in rat brain ho... 2147957
Glutamate NMDA receptor IC50 = 560.0 nM 6.25 In vitro inhibition of [3H]glycine at NMDA receptor 7990104
Glutamate NMDA receptor IC50 = 560.0 nM 6.25 Concentration required to inhibit 50% of the specific binding of [3H]glycine to ... 1534583
Glutamate NMDA receptor IC50 = 560.0 nM 6.25 Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... 1826744
Rattus norvegicus IC50 = 8000.0 nM 5.1 Activity was determined by inhibition of glutamate stimulated accumulation of cy... 2146391
Unchecked IC50 = 8000.0 nM 5.1 Antagonistic activity against N-methyl-D-aspartate glutamate receptor induced cG... 2147957

Literature References

PubMed DOI Target Context # Activities
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 4
2146391 10.1021/jm00173a003 Glutamate NMDA receptor 3
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
2147957 10.1021/jm00174a005 Unchecked 2
2147957 10.1021/jm00174a005 Glutamate NMDA receptor 2
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, kainate 2
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, AMPA 2
- 10.1016/S0960-894X(01)80897-0 Rattus norvegicus 1
2146391 10.1021/jm00173a003 Rattus norvegicus 1
- 10.1016/S0960-894X(01)80897-0 Glutamate NMDA receptor 1
1534583 10.1021/jm00089a003 Glutamate receptors; NMDA/AMPA 1
1534583 10.1021/jm00089a003 Glutamate NMDA receptor 1
9406596 10.1021/jm970417o No relevant target 1
9406596 10.1021/jm970417o Glutamate NMDA receptor 1
17417631 10.1038/nchembio873 Unchecked 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
9406596 10.1021/jm970417o Albumin 1

Data from ChEMBL 36 via Core Engine