Compound Detail
CHEMBL2204436
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Basic Information
| ChEMBL ID | CHEMBL2204436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXQNLQLMRMROSB-ZDUSSCGKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.1
MW (Da)
3.91
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 6.72 | 6.05 | 190.0 | 2 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | IC50 | = | 190.0 | nM | 6.72 | Negative allosteric modulation of human mGlu3 expressed in AV-12 cells in presen... | 22607673 |
| Metabotropic glutamate receptor 3 | IC50 | = | 4200.0 | nM | 5.38 | Negative allosteric modulation of mGlu3 assessed as thallium flux through GIRK c... | 22607673 |
| Metabotropic glutamate receptor 2 | IC50 | = | 17000.0 | nM | 4.77 | Negative allosteric modulation of mGlu2 assessed as thallium flux through GIRK c... | 22607673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Metabotropic glutamate receptor 3 | 2 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Metabotropic glutamate receptor 2 | 2 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine