Compound Detail
CHEMBL493774
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Basic Information
| ChEMBL ID | CHEMBL493774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBKQCXGQEJFHSX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
4.16
ALogP
2
HBA
0
HBD
36.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]MPEP from rat brain recombinant mGluR5 expressed in HEK293T ... | 19445453 |
| Metabotropic glutamate receptor 5 | IC50 | = | 7.19 | nM | 8.14 | Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutama... | 19445453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 5 | 3 |
| 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