Compound Detail
CHEMBL247495
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Basic Information
| ChEMBL ID | CHEMBL247495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSJGRAZXJZXELO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
0.64
ALogP
2
HBA
2
HBD
73.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.87 | 5.5533 | 1360.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 1360.0 | nM | 5.87 | Displacement of [3H]MPEP from mGlu5 receptor | 17196387 |
| Metabotropic glutamate receptor 5 | IC50 | = | 3300.0 | nM | 5.48 | Antagonist activity at mGluR5 by FLIPR | 17196387 |
| Metabotropic glutamate receptor 5 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR | 16380255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16380255 | 10.1016/j.bmcl.2005.11.092 | Metabotropic glutamate receptor 5 | 2 |
| 17196387 | 10.1016/j.bmcl.2006.12.033 | Metabotropic glutamate receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine