Compound Detail
CHEMBL51196
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Basic Information
| ChEMBL ID | CHEMBL51196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTDGKSQZBIJQGW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.04
ALogP
3
HBA
3
HBD
90.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 12000.0 | nM | 4.92 | Ability to compete with [3H]glycine for strychnine-insensitive binding sites on ... | 1534125 |
| NON-PROTEIN TARGET | IC50 | = | 16000.0 | nM | 4.8 | Ability to compete with [3H]CCP for rat cortical and hippocampal membrane glutam... | 1534125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 2 |
| 1534125 | 10.1021/jm00088a014 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine