Compound Detail
CHEMBL1784598
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Basic Information
| ChEMBL ID | CHEMBL1784598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJQVDPKXZRFKDK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
258.7
MW (Da)
3.38
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.79
Ki 1 meas. best 9.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 9.9 | 9.9 | 0.1 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 0.127 | nM | 9.9 | Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cell... | 21546249 |
| Metabotropic glutamate receptor 5 | IC50 | = | 1.61 | nM | 8.79 | Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as i... | 21546249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21546249 | 10.1016/j.bmcl.2011.04.047 | Metabotropic glutamate receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine