Compound Detail
CHEMBL186214
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Basic Information
| ChEMBL ID | CHEMBL186214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHUJXFRDZNFBOI-ZNLHFFCSSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
0.80
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
IC50 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL3067 | Ki | 7.8 | 7.8 | 15.9 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 7.14 | nM | 8.15 | Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in C... | 15317467 |
| Metabotropic glutamate receptor 3 | Ki | = | 15.9 | nM | 7.8 | Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in C... | 15317467 |
| Metabotropic glutamate receptor 2 | IC50 | = | 131.0 | nM | 6.88 | Concentration required to inhibit metabotropic glutamate receptor 2 activity of ... | 15317467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317467 | 10.1021/jm0400294 | Metabotropic glutamate receptor 2 | 2 |
| 15317467 | 10.1021/jm0400294 | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine