Compound Detail
CHEMBL444589
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Basic Information
| ChEMBL ID | CHEMBL444589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXZSAQLJWLCLOX-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
0.17
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.4
Ki 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 20000.0 | nM | 4.7 | Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). | 10893301 |
| Metabotropic glutamate receptor 1 | Ki | = | 30000.0 | nM | 4.52 | Agonist potency against cloned human metabotropic glutamate receptor 1 | 10893301 |
| Metabotropic glutamate receptor 1 | IC50 | = | 40000.0 | nM | 4.4 | Ability to inhibit mGluR1-alpha-mediated PI (phospho inositol) hydrolysis was de... | 7562903 |
| Metabotropic glutamate receptor 2 | IC50 | = | 48000.0 | nM | 4.32 | Ability to inhibit mGluR2-alpha induced cAMP formation was determined at BHK cel... | 7562903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 1 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 2 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 4 | 1 |
| - | 10.1016/0960-894X(96)00104-7 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine