Compound Detail
CHEMBL440462
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Basic Information
| ChEMBL ID | CHEMBL440462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMRGLBAUSUEXNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.1
MW (Da)
2.71
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... | 1826744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1826744 | 10.1021/jm00108a002 | Glutamate NMDA receptor | 3 |
Data from ChEMBL 36 via Core Engine