Compound Detail
CHEMBL1631867
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Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccnc(Cc4ccccc4)c3)c1)=N2
Basic Information
| ChEMBL ID | CHEMBL1631867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXFVKTYMAXFNJL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
7.13
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 8.3 | 8.05 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated ... | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 16.0 | nM | 7.8 | Partial displacement of [3H]LY354740 from recombinant rat mGluR2 | 20971004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Metabotropic glutamate receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine