Compound Detail
CHEMBL371775
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Basic Information
| ChEMBL ID | CHEMBL371775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJUDWJQPHXOEPH-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.46
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.55
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.55 | 7.55 | 28.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]muscimol from rat brain gamma-aminobutyric-acid GABA-A recep... | 15658856 |
| Unchecked | Ki | = | 28.18 | nM | 7.55 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
| Unchecked | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
| Rattus norvegicus | IC50 | = | 140.0 | nM | 6.85 | In vitro concentration required to inhibit peak currents in cerebral cortical ne... | 15658856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0583-7 | Unchecked | 2 |
| 15658856 | 10.1021/jm049256w | GABA-A receptor; anion channel | 1 |
| 15658856 | 10.1021/jm049256w | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine