Compound Detail
CHEMBL58242
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Basic Information
| ChEMBL ID | CHEMBL58242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMXDRRHRQGSOSI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
1.74
ALogP
7
HBA
0
HBD
66.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.49 | 4.325 | 32500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 32500.0 | nM | 4.49 | Inhibition of [35S]TBPS binding to GABA-A receptor rat whole brain membranes | 12781176 |
| GABA-A receptor; anion channel | IC50 | = | 69500.0 | nM | 4.16 | Inhibition of [35S]TBPS binding to GABA-A receptor rat whole brain membranes | 12781176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781176 | 10.1016/s0960-894x(03)00346-9 | Mus musculus | 4 |
| 12781176 | 10.1016/s0960-894x(03)00346-9 | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine