Compound Detail
CHEMBL211542
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Basic Information
| ChEMBL ID | CHEMBL211542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDDLAVVJNDQUMU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
143.2
MW (Da)
-0.33
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Ki 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of [3H]GABA binding in GABAA receptor in rat brain synaptic membranes | 16821803 |
| GABA-A receptor; anion channel | Ki | = | 27000.0 | nM | 4.57 | Displacement of [3H]muscimol from GABAA receptor in rat brain synaptic membranes | 16821803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821803 | 10.1021/jm051288b | Unchecked | 2 |
| 16821803 | 10.1021/jm051288b | GABA-A receptor; anion channel | 2 |
| 16821803 | 10.1021/jm051288b | GABA transporter 4 | 1 |
| 16821803 | 10.1021/jm051288b | GABA transporter 3 | 1 |
| 16821803 | 10.1021/jm051288b | GABA transporter 2 | 1 |
| 16821803 | 10.1021/jm051288b | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine