Compound Detail
CHEMBL3973949
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Basic Information
| ChEMBL ID | CHEMBL3973949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROOSHFSVNCXONY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.18
ALogP
4
HBA
1
HBD
93.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.68 | 7.65 | 21.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 21.0 | nM | 7.68 | Negative allosteric modulation of human mGluR2 by FLIPR assay | 32173198 |
| Metabotropic glutamate receptor 2 | IC50 | = | 23.0 | nM | 7.64 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 23.0 | nM | 7.64 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 23.0 | nM | 7.64 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32173198 | 10.1016/j.bmcl.2020.127066 | ATP-dependent translocase ABCB1 | 1 |
| 32173198 | 10.1016/j.bmcl.2020.127066 | Unchecked | 1 |
| 32173198 | 10.1016/j.bmcl.2020.127066 | Metabotropic glutamate receptor 2 | 1 |
| 32173198 | 10.1016/j.bmcl.2020.127066 | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine