Compound Detail
CHEMBL144364
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Basic Information
| ChEMBL ID | CHEMBL144364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQASDRGKIOGECB-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.44
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.42
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.42 | 5.42 | 3800.0 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 3800.0 | nM | 5.42 | In vitro inhibition of [3H]muscimol to rat brain synaptic membranes | 11150163 |
| GABA-A receptor; anion channel | Ki | = | 3800.0 | nM | 5.42 | Displacement of [3H]muscimol from rat brain gamma-aminobutyric-acid GABA-A recep... | 15658856 |
| GABA-A receptor; anion channel | IC50 | = | 4000.0 | nM | 5.4 | 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 |
| 15658856 | 10.1021/jm049256w | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine