Compound Detail
CHEMBL130213
6,7-DICHLORO-3-HYDROXY-2-QUINOXALINECARBOXYLIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL130213 |
| Name | 6,7-DICHLORO-3-HYDROXY-2-QUINOXALINECARBOXYLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWFDMVFVKWWYFN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
6
PK Parameters
8
Publications
0
Known Names
Molecular Properties
259.1
MW (Da)
2.34
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Glutamate receptor ionotropic kainate CHEMBL2109241 | IC50 | 4.49 | 4.49 | 32600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.284 | - | Rattus norvegicus |
| Fu | 1.0 | - | Rattus norvegicus |
| Fu | 0.476 | - | Rattus norvegicus |
| Fu | 0.0414 | - | Rattus norvegicus |
| Fu | 0.24 | - | Rattus norvegicus |
| Fu | 0.435 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 460.0 | nM | 6.34 | Tested for the affinity to the glycine site -NMDA receptor using [3H]Gly as radi... | - |
| Glutamate NMDA receptor | IC50 | = | 460.0 | nM | 6.34 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 6700.0 | nM | 5.17 | Tested for the affinity to the Ionotropic glutamate receptor AMPA using [3H]-AMP... | - |
| Glutamate receptor ionotropic kainate | IC50 | = | 32600.0 | nM | 4.49 | Tested for the affinity for the Ionotropic glutamate receptor kainate using [3H]... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31732255 | 10.1016/j.ejmech.2019.111813 | ADMET | 18 |
| - | 10.1016/S0960-894X(00)80095-5 | Glutamate [NMDA] receptor | 1 |
| - | 10.1016/S0960-894X(00)80095-5 | Glutamate receptor ionotropic AMPA | 1 |
| - | 10.1016/S0960-894X(00)80095-5 | Glutamate receptor ionotropic kainate | 1 |
| - | 10.1016/S0960-894X(00)80095-5 | No relevant target | 1 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 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 |
Data from ChEMBL 36 via Core Engine