Compound Detail
CHEMBL518313
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Basic Information
| ChEMBL ID | CHEMBL518313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMSFZCZUJKRFNW-NEPJUHHUSA-N |
4
Targets
18
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
0.59
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 6.86
IC50 6 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 6.86 | 6.86 | 138.0 | 2 |
| Excitatory amino acid transporter 3 CHEMBL2721 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3744 | Ki | 4.67 | 4.67 | 21379.6 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.14 | 4.14 | 72000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 138.0 | nM | 6.86 | Displacement of [3H]SYM2081 from rat recombinant iGluR5 | 18578478 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 138.04 | nM | 6.86 | Displacement of [3H]SYM2081 from rat recombinant iGluR5 | 18578478 |
| Excitatory amino acid transporter 3 | Ki | = | 3000.0 | nM | 5.52 | Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells | 18578477 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 21400.0 | nM | 4.67 | Displacement of [3H]SYM2081 from rat recombinant iGluR7 | 18578478 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 21379.62 | nM | 4.67 | Displacement of [3H]SYM2081 from rat recombinant iGluR7 | 18578478 |
| Glutamate NMDA receptor | Ki | = | 72000.0 | nM | 4.14 | Displacement of [3H]CGP 39653 from NMDA receptor in rat synaptosomes | 18578478 |
| Glutamate NMDA receptor | Ki | = | 72443.6 | nM | 4.14 | Displacement of [3H]CGP 39653 from NMDA receptor in rat synaptosomes | 18578478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 1 | 4 |
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 2 | 4 |
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 3 | 4 |
| 18578478 | 10.1021/jm800092x | Unchecked | 2 |
| 18578478 | 10.1021/jm800092x | Glutamate NMDA receptor | 2 |
| 18578478 | 10.1021/jm800092x | Glutamate receptor ionotropic, kainate 3 | 2 |
| 18578478 | 10.1021/jm800092x | Glutamate receptor ionotropic, kainate 1 | 2 |
| 18578478 | 10.1021/jm800092x | Glutamate receptor ionotropic, kainate 2 | 1 |
Data from ChEMBL 36 via Core Engine