Compound Detail
CHEMBL82083
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Basic Information
| ChEMBL ID | CHEMBL82083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKHCCEDBMYIAML-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.99
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.3 | 6.0 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 500.0 | nM | 6.3 | In vitro binding affinity to the Gamma-aminobutyric acid A receptor complex in p... | 10395481 |
| GABA-A receptor; anion channel | IC50 | = | 2000.0 | nM | 5.7 | In vitro binding affinity to the Gamma-aminobutyric acid A receptor complex in a... | 10395481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395481 | 10.1021/jm9805889 | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine