Compound Detail
CHEMBL90501
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Basic Information
| ChEMBL ID | CHEMBL90501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCGJEPFYMOHIDP-JYLBIAAUSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 6.14 | 6.14 | 720.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | Ki | 5.28 | 5.28 | 5300.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 330.0 | nM | 6.48 | Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). | 10893301 |
| Metabotropic glutamate receptor 5 | Ki | = | 720.0 | nM | 6.14 | Agonist potency against cloned metabotropic glutamate receptor 5 | 10893301 |
| Metabotropic glutamate receptor 1 | Ki | = | 1600.0 | nM | 5.8 | Agonist potency against cloned human metabotropic glutamate receptor 1 | 10893301 |
| Metabotropic glutamate receptor 3 | Ki | = | 2200.0 | nM | 5.66 | Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). | 10893301 |
| Metabotropic glutamate receptor 6 | Ki | = | 5300.0 | nM | 5.28 | Agonist potency against cloned Metabotropic glutamate receptor 6 (mGluR-6). | 10893301 |
| Metabotropic glutamate receptor 4 | Ki | = | 23000.0 | nM | 4.64 | Agonist potency against cloned human Metabotropic glutamate receptor 4 (mGluR-4) | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 3 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine