Compound Detail
CHEMBL3974648
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3974648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHYXZFXTCZPFKO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.97
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.17 | 6.885 | 68.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 68.0 | nM | 7.17 | Negative allosteric modulation of human mGluR2 by FLIPR assay | 32173198 |
| Metabotropic glutamate receptor 2 | IC50 | = | 163.0 | nM | 6.79 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 163.0 | nM | 6.79 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 163.0 | nM | 6.79 | 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