Compound Detail
CHEMBL2179633
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COc1cc(C(=O)O)cc(OC)c1-c1cccc(COc2ccc3c(c2)CN(C2CCCC2)C3=O)c1
Basic Information
| ChEMBL ID | CHEMBL2179633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIEJBPSIAOJISX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
5.55
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 80.0 | nM | 7.1 | Positive allosteric modulation activity at rat mGlu2R expressed in HEK293 cells ... | 23009245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23009245 | 10.1021/jm3005306 | Metabotropic glutamate receptor 2 | 2 |
| 23009245 | 10.1021/jm3005306 | Liver microsomes | 1 |
| 23009245 | 10.1021/jm3005306 | Plasma | 1 |
| 23009245 | 10.1021/jm3005306 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine