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Compound Detail

CHEMBL284028

2,3-DIHYDROXY-6,7-DICHLOROQUINOXALINE
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Oc1nc2cc(Cl)c(Cl)cc2nc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284028
Name 2,3-DIHYDROXY-6,7-DICHLOROQUINOXALINE
Phase Preclinical
Structure Type MOL
InChI Key AVBSIKMUAFYZAV-UHFFFAOYSA-N
7
Targets
17
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

231.0
MW (Da)
2.35
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H4Cl2N2O2
MW 231.04
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.75

Activity Summary

IC50 14 meas. best 6.89
Ki 3 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.89 5.9025 130.0 4
Glutamate [NMDA] receptor
CHEMBL2094124
 IC50 6.89 6.89 130.0 2
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 IC50 6.89 6.3933 130.0 3
Unchecked
CHEMBL612545
 IC50 6.89 6.89 130.0 1
Glutamate NMDA receptor
CHEMBL1907608
 Ki 6.8 6.8 160.0 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 Ki 6.68 6.68 210.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 Ki 5.79 5.79 1640.0 1
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
 IC50 5.3 5.3 4970.0 1
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 130.0 nM 6.89 Inhibition of [3H]DCKA binding to NMDA receptor of rat brain membranes. 8917657
Glutamate [NMDA] receptor IC50 = 130.0 nM 6.89 Inhibition of [3H]DCKA binding to N-methyl-D-aspartate glutamate receptor 12699379
Glutamate [NMDA] receptor IC50 = 130.0 nM 6.89 Inhibition of [3H]DCKA binding to N-methyl-D-aspartate glutamate receptor 12699379
Glutamate receptor ionotropic, NMDA 1 IC50 = 130.0 nM 6.89 Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displa... 9057859
Unchecked IC50 = 130.0 nM 6.89 Electrophysiological assays in Xenopus oocytes expressing cloned NMDA receptor (... -
Glutamate receptor ionotropic, NMDA 1 IC50 = 130.0 nM 6.89 Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes 8765507
Glutamate NMDA receptor Ki = 160.0 nM 6.8 Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]5,7-... 7966156
Glutamate receptor ionotropic, NMDA 1 Ki = 210.0 nM 6.68 Displacement of [3H]glycine from glycine site on the NMDA receptor. 1382133
Glutamate receptor ionotropic, AMPA Ki = 1640.0 nM 5.79 Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA. 1382133
Glutamate NMDA receptor IC50 = 2000.0 nM 5.7 Binding affinity at glycine binding site of NMDA receptor in rat cortical membra... 11384240
Glutamate NMDA receptor IC50 = 3100.0 nM 5.51 In vitro inhibition of [3H]glycine at NMDA receptor 7990104
Glutamate NMDA receptor IC50 = 3100.0 nM 5.51 Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... 1826744
Glutamate receptor ionotropic, NMDA 1 IC50 = 4000.0 nM 5.4 Compound was evaluated for its binding affinity towards strychnine - insensitive... -
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 4970.0 nM 5.3 Inhibition of FTO (unknown origin) demethylation activity using m6A7-Broccoli RN... 34792334
Glutamate receptor ionotropic AMPA IC50 = 27000.0 nM 4.57 Compound was evaluated for its binding affinity towards Ionotropic glutamate rec... -

Literature References

PubMed DOI Target Context # Activities
12699379 10.1021/jm0210156 Glutamate [NMDA] receptor 4
15828829 10.1021/jm049011j Liver carboxylesterase 1 2
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 2
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 2
- 10.1016/S0960-894X(01)81062-3 Glutamate receptor ionotropic, NMDA 2C 1
34792334 10.1021/acs.jmedchem.1c01694 Alpha-ketoglutarate-dependent dioxygenase FTO 1
1382133 10.1021/jm00096a002 Glutamate receptor ionotropic, NMDA 1 1
1382133 10.1021/jm00096a002 Glutamate receptor ionotropic, AMPA 1
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, kainate 1
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, AMPA 1
11384240 10.1021/jm001124p Glutamate NMDA receptor 1
- 10.1016/0960-894X(96)00036-4 Unchecked 1
- 10.1016/0960-894X(96)00036-4 Glutamate receptor ionotropic, NMDA 1 1
7966156 10.1021/jm00049a015 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(01)81062-3 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(01)81062-3 Glutamate receptor ionotropic, NMDA 1 1
7473565 10.1021/jm00022a003 Unchecked 1
7473565 10.1021/jm00022a003 Glutamate receptor ionotropic, AMPA 1
7473565 10.1021/jm00022a003 Glutamate receptor ionotropic, NMDA 1 1
9057859 10.1021/jm960654b Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine