Compound Detail
CHEMBL202307
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Basic Information
| ChEMBL ID | CHEMBL202307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZJCMXLEGBDDGI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.89
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.15
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 9.15 | 9.0 | 0.7 | 2 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 0.71 | nM | 9.15 | Displacement of [3H]MPEP from mGluR5 in rat brain membranes | 16451073 |
| Metabotropic glutamate receptor 5 | Ki | = | 1.003 | nM | 9.0 | Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells | 16451073 |
| Metabotropic glutamate receptor 5 | Ki | = | 1.4 | nM | 8.85 | Binding Assay: Binding assays were performed as described in Schaffhauser H, Ric... | - |
| Metabotropic glutamate receptor 5 | IC50 | = | 2.01 | nM | 8.7 | Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing ... | 16451073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451073 | 10.1021/jm050570f | Metabotropic glutamate receptor 5 | 3 |
Data from ChEMBL 36 via Core Engine