Compound Detail
CHEMBL82172
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Basic Information
| ChEMBL ID | CHEMBL82172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJWLNPZKAXZRHS-BYPYZUCNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
-0.28
ALogP
5
HBA
3
HBD
126.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 3000.0 | nM | 5.52 | Binding affinity towards NMDA receptor by displacement of [3H]CGP-39653 radiolig... | 11472204 |
| Glutamate receptor ionotropic, kainate | Ki | = | 8000.0 | nM | 5.1 | Binding affinity towards Ionotropic glutamate receptor kainate by displacement o... | 11472204 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 41000.0 | nM | 4.39 | Binding affinity towards AMPA receptor by displacement of [3H]AMPA radioligand. | 11472204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472204 | 10.1021/jm015509z | Glutamate receptor ionotropic, AMPA | 1 |
| 11472204 | 10.1021/jm015509z | Glutamate receptor ionotropic, kainate | 1 |
| 11472204 | 10.1021/jm015509z | Glutamate NMDA receptor | 1 |
| 11472204 | 10.1021/jm015509z | Excitatory amino acid transporter 3 | 1 |
Data from ChEMBL 36 via Core Engine