Compound Detail
CHEMBL2381642
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Basic Information
| ChEMBL ID | CHEMBL2381642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMDLTKGXRPVDSY-RTHBWCHNSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
-1.52
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.12
IC50 2 meas. best 8.07
Ki 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 8.12 | 8.12 | 7.6 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 7.95 | 7.95 | 11.2 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | EC50 | 7.85 | 7.85 | 14.2 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 6.78 | 6.78 | 166.0 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | EC50 | 5.36 | 5.36 | 4370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 7.6 | nM | 8.12 | Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 2 | IC50 | = | 8.6 | nM | 8.07 | Agonist activity at mGlu2 (unknown origin) | 28002967 |
| Metabotropic glutamate receptor 3 | IC50 | = | 11.2 | nM | 7.95 | Agonist activity at mGlu3 (unknown origin) | 28002967 |
| Metabotropic glutamate receptor 3 | EC50 | = | 14.2 | nM | 7.85 | Agonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 2 | Ki | = | 166.0 | nM | 6.78 | Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV1... | 27836401 |
| Metabotropic glutamate receptor 6 | EC50 | = | 4370.0 | nM | 5.36 | Agonist activity at human mGlu6 receptor expressed in golden Syrian hamster AV12... | 23675965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 6 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 3 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 2 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 8 | 1 |
| 27836401 | 10.1016/j.bmcl.2016.10.067 | Metabotropic glutamate receptor 2 | 1 |
| 28002967 | 10.1021/acs.jmedchem.6b01119 | Metabotropic glutamate receptor 2 | 1 |
| 28002967 | 10.1021/acs.jmedchem.6b01119 | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine