Compound Detail
CHEMBL333964
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Basic Information
| ChEMBL ID | CHEMBL333964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEKIJKSVXKWGRJ-BYPYZUCNSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
278.1
MW (Da)
-1.29
ALogP
5
HBA
3
HBD
118.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.04
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 5 CHEMBL2675 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| Glutamate receptor 1 CHEMBL2009 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 7.0 | 7.0 | 101.0 | 1 |
| Glutamate receptor 4 CHEMBL3190 | Ki | 6.34 | 6.34 | 457.0 | 1 |
| Glutamate receptor 1 CHEMBL3753 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 5 | Ki | = | 9.1 | nM | 8.04 | Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic ... | 9357531 |
| Glutamate receptor 1 | Ki | = | 92.0 | nM | 7.04 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 express... | 9357531 |
| Glutamate receptor 2 | Ki | = | 101.0 | nM | 7.0 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 express... | 9357531 |
| Glutamate receptor 4 | Ki | = | 457.0 | nM | 6.34 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 express... | 9357531 |
| Glutamate receptor 1 | EC50 | = | 2800.0 | nM | 5.55 | Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR1 expre... | 18811139 |
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 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 1 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 2 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine