Compound Detail
CHEMBL5186117
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Basic Information
| ChEMBL ID | CHEMBL5186117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZSBXDRTJNDPDR-FNORWQNLSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.08
ALogP
3
HBA
3
HBD
103.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.85
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3684 | Ki | 5.05 | 5.05 | 8900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | IC50 | = | 480.0 | nM | 6.32 | Binding affinity to AMPA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 1400.0 | nM | 5.85 | Binding affinity to GluK1 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 2500.0 | nM | 5.6 | Binding affinity to GluK2 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 8900.0 | nM | 5.05 | Binding affinity to GluK3 receptor (unknown origin) | 34998058 |
| Unchecked | IC50 | = | 24000.0 | nM | 4.62 | Binding affinity to KA 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 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 | Unchecked | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine