Compound Detail
CHEMBL5193862
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Basic Information
| ChEMBL ID | CHEMBL5193862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCKOVZZCGOMMIB-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.3
MW (Da)
1.94
ALogP
5
HBA
3
HBD
104.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 3 CHEMBL3684 | Ki | 6.85 | 6.85 | 142.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 6.04 | 6.04 | 908.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 6.02 | 6.02 | 960.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 5.95 | 5.95 | 1120.0 | 1 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 5.38 | 5.38 | 4120.0 | 1 |
| Glutamate receptor ionotropic, kainate 5 CHEMBL2675 | Ki | 4.58 | 4.58 | 26400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 142.0 | nM | 6.85 | Binding affinity to GluK3 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 908.0 | nM | 6.04 | Binding affinity to GluK2 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic AMPA | Ki | = | 960.0 | nM | 6.02 | Binding affinity to AMPA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 1120.0 | nM | 5.95 | Binding affinity to GluK1 receptor (unknown origin) | 34998058 |
| Glutamate receptor 2 | Ki | = | 4120.0 | nM | 5.38 | Binding affinity to GluA2 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 5 | Ki | = | 26400.0 | nM | 4.58 | Binding affinity to GluK5 receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic AMPA | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor 2 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic, kainate 3 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic, kainate 5 | 1 |
Data from ChEMBL 36 via Core Engine