Compound Detail
CHEMBL1812598
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Basic Information
| ChEMBL ID | CHEMBL1812598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEJFUKWFAQPACJ-YFKPBYRVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
-0.84
ALogP
6
HBA
3
HBD
118.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.23
EC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 8.23 | 8.23 | 5.9 | 1 |
| Glutamate receptor 2 CHEMBL3503 | Ki | 6.3 | 6.3 | 503.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3744 | Ki | 5.32 | 5.32 | 4750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 5.89 | nM | 8.23 | Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells | 21619066 |
| Glutamate receptor 2 | Ki | = | 503.0 | nM | 6.3 | Displacement of [3H]AMPA from rat GluA2 expressed in Sf9 cells | 21619066 |
| Unchecked | EC50 | = | 3550.0 | nM | 5.45 | Agonist activity at Non-desensitized homomeric rat GluK1(Q)1b mutant expressed i... | 21619066 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 4750.0 | nM | 5.32 | Displacement of [3H]SYM2081 from rat GluK3 expressed in Sf9 cells | 21619066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21619066 | 10.1021/jm2004078 | Unchecked | 8 |
| 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