Compound Detail
CHEMBL4642338
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CC[C@@](O)(c1nnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4642338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZTDYJVVVFMAQX-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
3.33
ALogP
7
HBA
2
HBD
119.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 16.0 | nM | 7.8 | 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 |
| 32173198 | 10.1016/j.bmcl.2020.127066 | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine