Compound Detail
CHEMBL184995
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Basic Information
| ChEMBL ID | CHEMBL184995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUYHNXKLIHUODF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.91
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 0.5 | nM | 9.3 | In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2... | 15225713 |
| Metabotropic glutamate receptor 5 | IC50 | = | 1.21 | nM | 8.92 | Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutama... | 19445453 |
| Metabotropic glutamate receptor 5 | Ki | = | 2.0 | nM | 8.7 | Displacement by compound of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from r... | 15225713 |
| Metabotropic glutamate receptor 5 | Ki | = | 5.49 | nM | 8.26 | Displacement of [3H]MPEP from cloned mGluR5 expressed in HEK293T cells by scinti... | 19445453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 5 | 3 |
| 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 |
| 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