Compound Detail
CHEMBL322887
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Basic Information
| ChEMBL ID | CHEMBL322887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTVFQKSMRLANLZ-ZPLJKJSBSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
-0.98
ALogP
5
HBA
3
HBD
122.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.57
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 16000.0 | nM | 4.8 | Activity tested at cloned rat mGluR2 receptor expressed in Chinese Hamster Ovary... | 12825948 |
| Metabotropic glutamate receptor 1 | Ki | = | 27000.0 | nM | 4.57 | Inhibitory constant against cloned rat Metabotropic glutamate receptor 1 express... | 12825948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825948 | 10.1021/jm0308085 | Mus musculus | 6 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 4 | 3 |
| 12825948 | 10.1021/jm0308085 | Rattus norvegicus | 2 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 1 | 2 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 2 | 2 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 4 | 2 |
| 12825948 | 10.1021/jm0308085 | Glutamate NMDA receptor | 1 |
| 12825948 | 10.1021/jm0308085 | Glutamate receptor ionotropic, AMPA | 1 |
| 12825948 | 10.1021/jm0308085 | Glutamate receptor ionotropic, kainate | 1 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 1 | 1 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 5 | 1 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine