Compound Detail
CHEMBL303090
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Basic Information
| ChEMBL ID | CHEMBL303090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWKCHJLBBNNNCI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
200.3
MW (Da)
2.25
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.91
Ki 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.91 | 6.905 | 122.0 | 2 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 6.67 | 6.665 | 214.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 122.0 | nM | 6.91 | Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stab... | 12519057 |
| Metabotropic glutamate receptor 5 | IC50 | = | 127.0 | nM | 6.9 | In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2... | 15225713 |
| Metabotropic glutamate receptor 5 | Ki | = | 214.0 | nM | 6.67 | Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from M... | 12519057 |
| Metabotropic glutamate receptor 5 | Ki | = | 218.0 | nM | 6.66 | Displacement by compound of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from r... | 15225713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12519057 | 10.1021/jm025570j | Metabotropic glutamate receptor 5 | 2 |
| 15225713 | 10.1016/j.bmcl.2004.05.037 | Metabotropic glutamate receptor 5 | 2 |
| 12519057 | 10.1021/jm025570j | No relevant target | 1 |
| 15225713 | 10.1016/j.bmcl.2004.05.037 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine