Compound Detail
CHEMBL542862
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Basic Information
| ChEMBL ID | CHEMBL542862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHTYXLBLHDCXHS-PQZIMGEPSA-N |
| Parent Compound | CHEMBL1191723 |
| Active Moiety | CHEMBL1191723 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
-0.29
ALogP
5
HBA
4
HBD
129.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 35000.0 | nM | 4.46 | Effective concentration required for agonistic activity at Metabotropic glutamat... | 11459661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459661 | 10.1016/s0960-894x(01)00329-8 | Metabotropic glutamate receptor 2 | 2 |
| 11459661 | 10.1016/s0960-894x(01)00329-8 | Metabotropic glutamate receptor 3 | 2 |
| 11459661 | 10.1016/s0960-894x(01)00329-8 | Metabotropic glutamate receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine