Compound Detail
CHEMBL4108673
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Cc1nn(C)cc1-c1cc(C(N)=O)nc2cc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)ccc12
Basic Information
| ChEMBL ID | CHEMBL4108673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IENGTFIKQCTJCK-MPBGBICISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.19
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 8.1 | 8.1 | 8.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
Data from ChEMBL 36 via Core Engine