Compound Detail
CHEMBL4077177
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Basic Information
| ChEMBL ID | CHEMBL4077177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFUIGRBRINDTIJ-YFKPBYRVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
-2.02
ALogP
6
HBA
3
HBD
127.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 2 CHEMBL3503 | Ki | 6.48 | 6.48 | 331.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 6.23 | 6.23 | 586.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 2 | Ki | = | 331.0 | nM | 6.48 | Displacement of [3H]AMPA from recombinant homomeric rat GluA2 receptor expressed... | 29451794 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 586.0 | nM | 6.23 | Displacement of [3H]SYM2081 from recombinant homomeric rat GluK1 receptor expres... | 29451794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29451794 | 10.1021/acs.jmedchem.8b00099 | Unchecked | 2 |
| 29451794 | 10.1021/acs.jmedchem.8b00099 | Glutamate receptor 2 | 1 |
| 29451794 | 10.1021/acs.jmedchem.8b00099 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 29451794 | 10.1021/acs.jmedchem.8b00099 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 29451794 | 10.1021/acs.jmedchem.8b00099 | Glutamate receptor ionotropic, kainate 3 | 1 |
Data from ChEMBL 36 via Core Engine