Compound Detail
CHEMBL4454630
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Basic Information
| ChEMBL ID | CHEMBL4454630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNHKUHMKWHDZML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.23
ALogP
2
HBA
1
HBD
45.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 6.56 | 6.56 | 276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 276.0 | nM | 6.56 | Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell me... | 30624919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30624919 | 10.1021/acs.jmedchem.8b01226 | Metabotropic glutamate receptor 1 | 1 |
| 30624919 | 10.1021/acs.jmedchem.8b01226 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine