Compound Detail
CHEMBL427186
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Basic Information
| ChEMBL ID | CHEMBL427186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZEJBGVIAXRMKT-NSHDSACASA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
459.2
MW (Da)
-0.23
ALogP
7
HBA
3
HBD
144.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.13
Kd 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Kd | 6.68 | 6.68 | 209.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.13 | 4.13 | 74100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.13 | 4.13 | 74100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Kd | = | 209.0 | nM | 6.68 | Antagonism on GLUK5 containing kainate induced depolarization of isolated neonat... | 16302825 |
| Glutamate receptor ionotropic, kainate 1 | Kd | = | 209.0 | nM | 6.68 | Activity at native GLUK5 kainate receptor assessed as antagonism of kainite-indu... | 17348638 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 74100.0 | nM | 4.13 | Antagonist activity on AMPA receptor expressed on rat motoneurons by its ability... | 16302825 |
| Unchecked | IC50 | = | 74100.0 | nM | 4.13 | Antagonist activity at native AMPA receptor assessed as fDR-VRP reduction of neo... | 17348638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, AMPA | 3 |
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, kainate 1 | 1 |
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, kainate 2 | 1 |
| 17348638 | 10.1021/jm061041u | Glutamate receptor ionotropic, kainate 1 | 1 |
| 17348638 | 10.1021/jm061041u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine