Compound Detail
CHEMBL363940
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Basic Information
| ChEMBL ID | CHEMBL363940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQCWNVPJUJCZIF-OAEYFNCWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
0.54
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Ki 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | Ki | 8.07 | 8.07 | 8.6 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.21 | 7.21 | 62.2 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 7.01 | 7.01 | 97.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 8.57 | nM | 8.07 | Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in C... | 15317467 |
| Metabotropic glutamate receptor 2 | IC50 | = | 62.2 | nM | 7.21 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
| Metabotropic glutamate receptor 3 | IC50 | = | 97.6 | nM | 7.01 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317467 | 10.1021/jm0400294 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine