Compound Detail
CHEMBL3945590
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Basic Information
| ChEMBL ID | CHEMBL3945590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYHMZHADXUXTFF-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.03
ALogP
5
HBA
1
HBD
91.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Ki 1 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 8.4 | 8.4 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 0.46 | nM | 9.34 | Binding affinity to human mGluR2 expressed in cell membrane incubated for 1 hr i... | 37465306 |
| Metabotropic glutamate receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465306 | 10.1021/acsmedchemlett.3c00175 | Metabotropic glutamate receptor 2 | 1 |
| 37465306 | 10.1021/acsmedchemlett.3c00175 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine