Compound Detail
CHEMBL188906
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Basic Information
| ChEMBL ID | CHEMBL188906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEURHZYLLRSEGL-RHNCMZPLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.49
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 9.06 | 9.06 | 0.9 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 5.63 | 5.63 | 2366.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Ki | = | 0.87 | nM | 9.06 | In vitro affinity for cloned rat metabotropic glutamate 1 receptors stably expre... | 16078827 |
| Metabotropic glutamate receptor 5 | Ki | = | 2366.0 | nM | 5.63 | In vitro affinity for cloned rat metabotropic glutamate 5 receptors stably expre... | 16078827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078827 | 10.1021/jm050263+ | ADMET | 18 |
| 16078827 | 10.1021/jm050263+ | Metabotropic glutamate receptor 1 | 1 |
| 16078827 | 10.1021/jm050263+ | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine