Compound Detail
CHEMBL122339
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Basic Information
| ChEMBL ID | CHEMBL122339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMQUNTGAPNGDHP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.0
MW (Da)
1.20
ALogP
5
HBA
2
HBD
79.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| D-amino-acid oxidase CHEMBL6172 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 4100.0 | nM | 5.39 | Displacement of [3H]DCKA at N-methyl-D-aspartate glutamate receptor 1 | 9357535 |
| D-amino-acid oxidase | IC50 | = | 12400.0 | nM | 4.91 | Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate ass... | 27089209 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 16000.0 | nM | 4.8 | Displacement of [3H]kainate from rat brain cortical membrane Ionotropic glutamat... | 9357535 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 32000.0 | nM | 4.5 | 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 NMDA receptor | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, AMPA | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, kainate | 1 |
| 27089209 | 10.1016/j.ejmech.2016.04.017 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine