Compound Detail
CHEMBL181483
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Basic Information
| ChEMBL ID | CHEMBL181483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKODYULBKPINFM-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.66
ALogP
2
HBA
0
HBD
36.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.38
Ki 2 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 9.38 | 8.5233 | 0.4 | 3 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 8.98 | 8.935 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 0.415 | nM | 9.38 | Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutama... | 19445453 |
| Metabotropic glutamate receptor 5 | Ki | = | 1.04 | nM | 8.98 | Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after ... | 22924094 |
| Metabotropic glutamate receptor 5 | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]MPEP from rat brain recombinant mGluR5 expressed in HEK293T ... | 19445453 |
| Metabotropic glutamate receptor 5 | IC50 | = | 5.0 | nM | 8.3 | Concentration required for 50% growth inhibition of rat metabotropic glutamate r... | 15686891 |
| Metabotropic glutamate receptor 5 | IC50 | = | 13.0 | nM | 7.89 | Inverse agonist activity at rat mGluR5 expressed in HEK293A cells coexpressing G... | 22924094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 5 | 3 |
| 22924094 | 10.1021/ml3000726 | Metabotropic glutamate receptor 5 | 2 |
| 15686891 | 10.1016/j.bmcl.2004.12.047 | Metabotropic glutamate receptor 5 | 1 |
| 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