Compound Detail
CHEMBL331696
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Basic Information
| ChEMBL ID | CHEMBL331696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBGQQPPNOYSQQD-REOHCLBHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
234.6
MW (Da)
-2.00
ALogP
6
HBA
3
HBD
131.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 4 CHEMBL3190 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Glutamate receptor 1 CHEMBL2009 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 7.78 | 7.78 | 16.7 | 1 |
| Glutamate receptor ionotropic, kainate 5 CHEMBL2675 | Ki | 7.51 | 7.51 | 30.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 4 | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 express... | 9357531 |
| Glutamate receptor 1 | Ki | = | 7.1 | nM | 8.15 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 express... | 9357531 |
| Glutamate receptor 2 | Ki | = | 16.7 | nM | 7.78 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 express... | 9357531 |
| Glutamate receptor ionotropic, kainate 5 | Ki | = | 30.9 | nM | 7.51 | Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic ... | 9357531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357531 | 10.1021/jm9702387 | Glutamate receptor 1 | 1 |
| 9357531 | 10.1021/jm9702387 | Glutamate receptor 2 | 1 |
| 9357531 | 10.1021/jm9702387 | Glutamate receptor 4 | 1 |
| 9357531 | 10.1021/jm9702387 | Glutamate receptor ionotropic, kainate 5 | 1 |
Data from ChEMBL 36 via Core Engine