Compound Detail
CHEMBL202845
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Basic Information
| ChEMBL ID | CHEMBL202845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAUBEMSRYCHMOU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.7
MW (Da)
2.07
ALogP
3
HBA
2
HBD
73.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 320.0 | nM | 6.5 | Displacement of [3H]MPEP from mGluR5d in rat brain membrane | 16380255 |
| Metabotropic glutamate receptor 5 | IC50 | = | 410.0 | nM | 6.39 | 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 |
Data from ChEMBL 36 via Core Engine