Compound Detail
CHEMBL416318
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Basic Information
| ChEMBL ID | CHEMBL416318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNRBXIFESPTMST-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.37
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.5 | 6.47 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 320.0 | nM | 6.5 | Binding affinity against benzodiazepine site of gamma-aminobutyric-acid A recept... | 7837226 |
| GABA-A receptor; anion channel | IC50 | = | 360.0 | nM | 6.44 | Binding affinity against benzodiazepine site of gamma-aminobutyric-acid A recept... | 7837226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837226 | 10.1021/jm00001a005 | GABA-A receptor; anion channel | 3 |
| 7837226 | 10.1021/jm00001a005 | Mus musculus | 1 |
| 7837226 | 10.1021/jm00001a005 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine