Compound Detail
CHEMBL1812597
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Basic Information
| ChEMBL ID | CHEMBL1812597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUGDTWLLDWSJQZ-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
0.04
ALogP
6
HBA
3
HBD
118.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 5.43 | 5.43 | 3673.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3744 | Ki | 4.14 | 4.14 | 72300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 3673.0 | nM | 5.43 | Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells | 21619066 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 72300.0 | nM | 4.14 | Displacement of [3H]SYM2081 from rat GluK3 expressed in Sf9 cells | 21619066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21619066 | 10.1021/jm2004078 | Unchecked | 2 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor ionotropic, kainate 3 | 1 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine