Compound Detail
CHEMBL5177751
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Basic Information
| ChEMBL ID | CHEMBL5177751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOBORVHHDCBXLX-ZETCQYMHSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
263.2
MW (Da)
-0.44
ALogP
4
HBA
4
HBD
129.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.02
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 5.02 | 5.02 | 9520.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 4.79 | 4.61 | 16100.0 | 2 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 4.67 | 4.67 | 21300.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3684 | Ki | 4.23 | 4.23 | 59000.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 9520.0 | nM | 5.02 | Binding affinity to GluK2 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 16100.0 | nM | 4.79 | Binding affinity to GluK1 receptor (unknown origin) | 34998058 |
| Glutamate receptor 2 | Ki | = | 21300.0 | nM | 4.67 | Binding affinity to GluA2 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 26000.0 | nM | 4.58 | Displacement of [3H]AMPA from AMPA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 37100.0 | nM | 4.43 | Binding affinity to GluK1 ligand binding domain (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 59000.0 | nM | 4.23 | Binding affinity to GluK3 receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic AMPA | Ki | = | 78000.0 | nM | 4.11 | Displacement of [3H]NMDA from AMPA receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic AMPA | 3 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic, kainate 1 | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor 2 | 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 |
Data from ChEMBL 36 via Core Engine