Compound Detail
CHEMBL411095
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Basic Information
| ChEMBL ID | CHEMBL411095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJFSUONZDZKWIS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
4.66
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 7.92 | 7.82 | 12.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Displacement of [3H]LY354740 from rat mGluR2 | 18374569 |
| Metabotropic glutamate receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Partial displacement of [3H]LY354740 from recombinant rat mGluR2 | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 19.0 | nM | 7.72 | Antagonist activity at rat mGluR2 assessed as blockade of (1S,3R)-ACPD-induced i... | 18374569 |
| Metabotropic glutamate receptor 2 | IC50 | = | 19.0 | nM | 7.72 | Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated ... | 20971004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18374569 | 10.1016/j.bmcl.2008.02.076 | Metabotropic glutamate receptor 2 | 2 |
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Metabotropic glutamate receptor 2 | 2 |
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine