Compound Detail
CHEMBL2381645
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[N-]=[N+]=N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL2381645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBUIZKQQNAWVEW-FJNNMDBYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
-0.20
ALogP
4
HBA
3
HBD
149.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.91
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 7.91 | 7.91 | 12.2 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | EC50 | 7.63 | 7.63 | 23.5 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 12.2 | nM | 7.91 | Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 3 | EC50 | = | 23.5 | nM | 7.63 | Agonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 6 | IC50 | = | 1890.0 | nM | 5.72 | Antagonist activity at human mGlu6 receptor expressed in golden Syrian hamster A... | 23675965 |
| Metabotropic glutamate receptor 8 | EC50 | = | 12000.0 | nM | 4.92 | Agonist activity at human mGlu8 receptor expressed in golden Syrian hamster AV12... | 23675965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 8 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 6 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 3 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine