Compound Detail
CHEMBL143979
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Basic Information
| ChEMBL ID | CHEMBL143979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQLQGMSDFYMSGG-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.79
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.31
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.31 | 6.31 | 490.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.31 | 6.31 | 489.8 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 490.0 | nM | 6.31 | In vitro inhibition of [3H]muscimol to rat brain synaptic membranes | 11150163 |
| Unchecked | Ki | = | 489.78 | nM | 6.31 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
| Unchecked | Ki | = | 490.0 | nM | 6.31 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
| GABA-A receptor; anion channel | IC50 | = | 890.0 | nM | 6.05 | Inhibition of Gamma-aminobutyric acid A (GABA-A) receptor in vitro by whole-cell... | 11150163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150163 | 10.1021/jm000371q | GABA-A receptor; anion channel | 2 |
| - | 10.1007/s00044-013-0583-7 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine