Compound Detail
CHEMBL185078
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Basic Information
| ChEMBL ID | CHEMBL185078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGRLZFWNJWSHOX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
4.52
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Ki 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 22.0 | nM | 7.66 | In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2... | 15225713 |
| Metabotropic glutamate receptor 5 | Ki | = | 43.0 | nM | 7.37 | Displacement by compound of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from r... | 15225713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225713 | 10.1016/j.bmcl.2004.05.037 | Metabotropic glutamate receptor 5 | 2 |
| 15225713 | 10.1016/j.bmcl.2004.05.037 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine