Compound Detail
CHEMBL92456
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Basic Information
| ChEMBL ID | CHEMBL92456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCKQLSYPVKEZFW-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
213.6
MW (Da)
0.33
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.09
Ki 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 6.29 | 6.29 | 512.9 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 512.86 | nM | 6.29 | In vitro binding affinity for glycine site on the NMDA receptor. | - |
| Glutamate NMDA receptor | IC50 | = | 820.0 | nM | 6.09 | Displacement of [3H]DCKA at N-methyl-D-aspartate glutamate receptor 1 | 9357535 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 5300.0 | nM | 5.28 | Displacement of [3H]kainate from rat brain cortical membrane Ionotropic glutamat... | 9357535 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 9900.0 | nM | 5.0 | Binding affinity in rat brain cortical membranes by the displacement of [3H]AMPA... | 9357535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, AMPA | 2 |
| - | 10.1016/S0960-894X(96)00492-1 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate NMDA receptor | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, kainate | 1 |
| 9357535 | 10.1021/jm970396y | Mus musculus | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 9357535 | 10.1021/jm970396y | No relevant target | 1 |
| 9357535 | 10.1021/jm970396y | Rattus norvegicus | 1 |
| 9357535 | 10.1021/jm970396y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine