Compound Detail
CHEMBL221321
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Basic Information
| ChEMBL ID | CHEMBL221321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKTBJRLDYITGOV-QMMMGPOBSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.2
MW (Da)
-0.01
ALogP
8
HBA
3
HBD
144.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Kd 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Kd | 7.6 | 7.6 | 25.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 42900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Kd | = | 25.0 | nM | 7.6 | Activity at native GLUK5 kainate receptor assessed as antagonism of kainite-indu... | 17348638 |
| Unchecked | IC50 | = | 42900.0 | nM | 4.37 | Antagonist activity at native AMPA receptor assessed as fDR-VRP reduction of neo... | 17348638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17348638 | 10.1021/jm061041u | Glutamate receptor ionotropic, kainate 1 | 1 |
| 17348638 | 10.1021/jm061041u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine