Compound Detail
CHEMBL330795
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Basic Information
| ChEMBL ID | CHEMBL330795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPJJGAUEQIVPRW-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
1.47
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.22 | 6.19 | 600.0 | 2 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.025 | 9000.0 | 2 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | 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, AMPA | IC50 | = | 600.0 | nM | 6.22 | Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... | 7562904 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 700.0 | nM | 6.16 | Binding affinity against AMPA receptor using [3H]- AMPA radioligand | - |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 700.0 | nM | 6.16 | Binding affinity towards AMPA receptor to rat cortical membrane using [3H]AMPA a... | - |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibitory activity against lactate dehydrogenase release was determined | - |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Compound was tested for neuronal damage produced by application of 500 uM kainat... | - |
| Glutamate receptor ionotropic, kainate | IC50 | = | 13000.0 | nM | 4.89 | Binding affinity towards kainate receptor to rat cortical membrane using [3H]kai... | - |
| Glutamate NMDA receptor | IC50 | = | 44000.0 | nM | 4.36 | Binding affinity towards glutamate binding site of NMDA receptor to rat cortical... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80147-5 | Unchecked | 2 |
| - | 10.1016/S0960-894X(97)00239-4 | Glutamate receptor ionotropic AMPA | 1 |
| 7562904 | 10.1021/jm00019a003 | Glutamate receptor ionotropic, AMPA | 1 |
| - | 10.1016/S0960-894X(01)80147-5 | Glutamate receptor ionotropic, AMPA | 1 |
| - | 10.1016/S0960-894X(01)80147-5 | Glutamate receptor ionotropic, kainate | 1 |
| - | 10.1016/S0960-894X(01)80147-5 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(01)80147-5 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| - | 10.1016/S0960-894X(01)80147-5 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine