Compound Detail
CHEMBL122559
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Basic Information
| ChEMBL ID | CHEMBL122559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHRMDKJWRAVTTK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
0.82
ALogP
7
HBA
2
HBD
95.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.66 | 4.66 | 22000.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.36 | 4.36 | 44000.0 | 2 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate | IC50 | = | 22000.0 | nM | 4.66 | Binding affinity for the ionotropic glutamate receptor kainate in rat brain syna... | 7562904 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 22000.0 | nM | 4.66 | Binding affinity for the ionotropic glutamate receptor kainate in rat brain syna... | 7562904 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 44000.0 | nM | 4.36 | Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... | 7562904 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 44000.0 | nM | 4.36 | Binding affinity against AMPA receptor using [3H]- AMPA radioligand | - |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 44000.0 | nM | 4.36 | Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... | 7562904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562904 | 10.1021/jm00019a003 | Glutamate receptor ionotropic, AMPA | 2 |
| 7562904 | 10.1021/jm00019a003 | Glutamate receptor ionotropic, kainate | 2 |
| - | 10.1016/S0960-894X(97)00239-4 | Glutamate receptor ionotropic AMPA | 1 |
Data from ChEMBL 36 via Core Engine