Compound Detail
CHEMBL397121
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Basic Information
| ChEMBL ID | CHEMBL397121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVBWBHLJBLFSFF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
3.98
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Ki 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 7.01 | 7.01 | 98.1 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]MPEP from mGluR5 in rat brain membrane | 17336520 |
| Metabotropic glutamate receptor 5 | IC50 | = | 98.1 | nM | 7.01 | Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutama... | 19445453 |
| Metabotropic glutamate receptor 5 | IC50 | = | 160.0 | nM | 6.8 | Antagonist activity at mGluR5 expressed in CHO cells assessed as phosphoinositid... | 17336520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17336520 | 10.1016/j.bmcl.2006.12.083 | Metabotropic glutamate receptor 5 | 2 |
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 5 | 2 |
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 1 | 1 |
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine