Compound Detail
CHEMBL568300
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Basic Information
| ChEMBL ID | CHEMBL568300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXOVHWCIJDUPOW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
3.09
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 6 CHEMBL4573 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 6 | IC50 | = | 4100.0 | nM | 5.39 | Antagonist activity at human recombinant GluR6 expressed in HEK cells coexpressi... | 19819046 |
| Metabotropic glutamate receptor 5 | IC50 | = | 30000.0 | nM | 4.52 | Antagonist activity at human recombinant GluR5 expressed in HEK cells coexpressi... | 19819046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19819046 | 10.1016/j.ejmech.2009.09.025 | ADMET | 2 |
| 19819046 | 10.1016/j.ejmech.2009.09.025 | Metabotropic glutamate receptor 5 | 1 |
| 19819046 | 10.1016/j.ejmech.2009.09.025 | Metabotropic glutamate receptor 6 | 1 |
| 19819046 | 10.1016/j.ejmech.2009.09.025 | N2a | 1 |
Data from ChEMBL 36 via Core Engine