Compound Detail
CHEMBL79133
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Basic Information
| ChEMBL ID | CHEMBL79133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUQMLGUUEJSAQI-LLVKDONJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
3.83
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.96 | 5.655 | 1110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1110.0 | nM | 5.96 | The compound was tested in vitro for the inhibition of N-methyl-D-aspartate glut... | 11078190 |
| Glutamate NMDA receptor | IC50 | = | 4500.0 | nM | 5.35 | The compound was tested in vitro for the displacement of the radioligand (+)-[3H... | 11078190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11078190 | 10.1016/s0960-894x(00)00470-4 | Glutamate NMDA receptor | 2 |
| 11078190 | 10.1016/s0960-894x(00)00470-4 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine