Compound Detail
CHEMBL176855
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Basic Information
| ChEMBL ID | CHEMBL176855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZJWUFOZYNRXGJ-LURJTMIESA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
249.2
MW (Da)
0.40
ALogP
6
HBA
3
HBD
122.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas.
EC50 1 meas. best 4.64
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 1300.0 | nM | 5.89 | Concentration which causes 50% reduction in receptor binding affinity against Io... | 11831912 |
| Rattus norvegicus | EC50 | = | 23000.0 | nM | 4.64 | Electropharmacology measured as agonist effects in the rat cortical wedge model | 11831912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831912 | 10.1021/jm010443t | Rattus norvegicus | 2 |
| 11831912 | 10.1021/jm010443t | Glutamate NMDA receptor | 1 |
| 11831912 | 10.1021/jm010443t | Glutamate receptor ionotropic, AMPA | 1 |
| 11831912 | 10.1021/jm010443t | Glutamate receptor ionotropic, kainate 1 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 1 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 5 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 4 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine