Compound Detail
CHEMBL446543
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Basic Information
| ChEMBL ID | CHEMBL446543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPCGRVYMABSMOQ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.86
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.1
IC50 2 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 10.1 | 9.77 | 0.1 | 2 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 9.09 | 8.905 | 0.8 | 2 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 0.08 | nM | 10.1 | Displacement of [3H]MPEP from mGluR5 in rat brain | 21207959 |
| Metabotropic glutamate receptor 5 | Ki | = | 0.36 | nM | 9.44 | Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cell... | 21546249 |
| Metabotropic glutamate receptor 5 | IC50 | = | 0.813 | nM | 9.09 | Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutama... | 19445453 |
| Metabotropic glutamate receptor 5 | Ki | = | 0.9 | nM | 9.05 | Displacement of [3H]MPEP from cloned mGluR5 expressed in HEK293T cells by scinti... | 19445453 |
| Metabotropic glutamate receptor 5 | IC50 | = | 1.89 | nM | 8.72 | Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as i... | 21546249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 5 | 3 |
| 21546249 | 10.1016/j.bmcl.2011.04.047 | Metabotropic glutamate receptor 5 | 2 |
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 1 | 1 |
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 6 | 1 |
| 21207959 | 10.1021/jm101430m | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine