Compound Detail
CHEMBL333042
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Basic Information
| ChEMBL ID | CHEMBL333042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDDWOFLAEYFKEE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
258.0
MW (Da)
0.44
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 1000.0 | nM | 6.0 | Binding affinity in rat brain cortical membranes by the displacement of [3H]- DC... | 9357535 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 3400.0 | nM | 5.47 | Displacement of [3H]kainate from rat brain cortical membrane Ionotropic glutamat... | 9357535 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 6700.0 | nM | 5.17 | Binding affinity in rat brain cortical membranes by the displacement of [3H]AMPA... | 9357535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, AMPA | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, kainate | 1 |
| 9357535 | 10.1021/jm970396y | Mus musculus | 1 |
| 9357535 | 10.1021/jm970396y | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine