Compound Detail
CHEMBL4646222
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CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccc(C(C)C)cc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4646222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTWWWXWSRIXURG-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
4.92
ALogP
6
HBA
2
HBD
106.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 2700.0 | nM | 5.57 | Negative allosteric modulation of human mGluR2 by FLIPR assay | 32173198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32173198 | 10.1016/j.bmcl.2020.127066 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine