Compound Detail
CHEMBL2204446
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Basic Information
| ChEMBL ID | CHEMBL2204446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSLWUPHHCFQTDB-IBGZPJMESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.94
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 5.49 | 5.375 | 3235.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | IC50 | = | 3235.94 | nM | 5.49 | Negative allosteric modulation of mGlu3 assessed as thallium flux through GIRK c... | 22607673 |
| Metabotropic glutamate receptor 3 | IC50 | = | 5490.0 | nM | 5.26 | Negative allosteric modulation of mGlu3 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 | 3 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine