Compound Detail
CHEMBL493892
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Basic Information
| ChEMBL ID | CHEMBL493892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAXDSUJFJPXUEH-YFKPBYRVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
239.2
MW (Da)
-1.31
ALogP
6
HBA
3
HBD
131.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 5.53 | 5.53 | 2980.0 | 1 |
| Glutamate receptor 1 CHEMBL3753 | Ki | 4.45 | 4.45 | 35200.0 | 1 |
| Glutamate receptor 2 CHEMBL3503 | Ki | 4.36 | 4.36 | 43600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 2980.0 | nM | 5.53 | Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 ce... | 18811139 |
| Glutamate receptor 1 | Ki | = | 35200.0 | nM | 4.45 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 express... | 18811139 |
| Glutamate receptor 2 | Ki | = | 43600.0 | nM | 4.36 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expr... | 18811139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811139 | 10.1021/jm800865a | Glutamate receptor 1 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 2 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 3 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 4 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor ionotropic, kainate 1 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor ionotropic, kainate 2 | 1 |
Data from ChEMBL 36 via Core Engine