Compound Detail
CHEMBL178058
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Basic Information
| ChEMBL ID | CHEMBL178058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSJVPOMJYXGEDF-LBPRGKRZSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.15
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Ki 2 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 14000.0 | nM | 4.85 | Concentration which causes 50% reduction in receptor binding affinity against N-... | 11831912 |
| Metabotropic glutamate receptor 5 | Ki | = | 53000.0 | nM | 4.28 | The compound was tested for the receptor binding affinity at Metabotropic glutam... | 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