Compound Detail
CHEMBL1629866
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Basic Information
| ChEMBL ID | CHEMBL1629866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXIAOXVQWLJIRI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.4
MW (Da)
5.94
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL3067 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 8.22 | 8.16 | 6.0 | 2 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity at rat mGluR3 receptor expressed in CHO cells assessed as in... | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 6.0 | nM | 8.22 | Partial displacement of [3H]LY354740 from recombinant rat mGluR2 | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated ... | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 15.0 | nM | 7.82 | Antagonist activity at human mGluR2 receptor expressed in CHO cells assessed as ... | 20971004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Metabotropic glutamate receptor 2 | 3 |
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine