Compound Detail
CHEMBL330097
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Basic Information
| ChEMBL ID | CHEMBL330097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTPXNEQCDPWJQA-SJFCMNACSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
-1.52
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | Ki | = | 100.0 | nM | 7.0 | Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3). | 10893301 |
| Metabotropic glutamate receptor 2 | Ki | = | 110.0 | nM | 6.96 | Antagonist potency against cloned Metabotropic glutamate receptor 2 | 10893301 |
| Metabotropic glutamate receptor 8 | Ki | = | 15000.0 | nM | 4.82 | Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8). | 10893301 |
| Metabotropic glutamate receptor 4 | Ki | = | 22000.0 | nM | 4.66 | 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 8 | 1 |
Data from ChEMBL 36 via Core Engine