Compound Detail
CHEMBL123259
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Basic Information
| ChEMBL ID | CHEMBL123259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSMKHUPEQUHVTC-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
1.72
ALogP
7
HBA
2
HBD
112.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 5.77 | 5.77 | 1700.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.55 | 5.55 | 2800.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate | IC50 | = | 1700.0 | nM | 5.77 | Binding affinity for the ionotropic glutamate receptor kainate in rat brain syna... | 7562904 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 1700.0 | nM | 5.77 | Binding affinity for the ionotropic glutamate receptor kainate in rat brain syna... | 7562904 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 2800.0 | nM | 5.55 | Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... | 7562904 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 2800.0 | nM | 5.55 | Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... | 7562904 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 20000.0 | nM | 4.7 | Affinity for N-methyl-D-aspartate glutamate receptor 1 in rat brain synaptic mem... | 7562904 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 20000.0 | nM | 4.7 | Affinity for N-methyl-D-aspartate glutamate receptor 1 in rat brain synaptic mem... | 7562904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562904 | 10.1021/jm00019a003 | Glutamate receptor ionotropic, AMPA | 2 |
| 7562904 | 10.1021/jm00019a003 | Glutamate receptor ionotropic, kainate | 2 |
| 7562904 | 10.1021/jm00019a003 | Glutamate receptor ionotropic, NMDA 1 | 2 |
Data from ChEMBL 36 via Core Engine