Compound Detail
CHEMBL4167825
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Basic Information
| ChEMBL ID | CHEMBL4167825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSZKJNDLOIROKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
296.1
MW (Da)
2.99
ALogP
5
HBA
0
HBD
60.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 5.51 | 5.51 | 3077.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 3077.0 | nM | 5.51 | Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintill... | 30143366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30143366 | 10.1016/j.bmc.2018.08.012 | Metabotropic glutamate receptor 2 | 2 |
| 30143366 | 10.1016/j.bmc.2018.08.012 | Metabotropic glutamate receptor 4 | 2 |
| 30143366 | 10.1016/j.bmc.2018.08.012 | Unchecked | 1 |
| 30143366 | 10.1016/j.bmc.2018.08.012 | Glutamate [NMDA] receptor | 1 |
| 30143366 | 10.1016/j.bmc.2018.08.012 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine