Compound Detail
CHEMBL132561
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Basic Information
| ChEMBL ID | CHEMBL132561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLZVAIDABZBAGE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.20
ALogP
4
HBA
2
HBD
79.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL3139 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-1 | IC50 | = | 800.0 | nM | 6.1 | Affinity for gamma-aminobutyric-acid A receptor measured by its ability to displ... | 1331456 |
| GABA-A receptor; anion channel | IC50 | = | 2300.0 | nM | 5.64 | Binding affinity in vivo for gamma-aminobutyric-acid A receptor measured by its ... | 1331456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331456 | 10.1021/jm00100a015 | GABA-A receptor; anion channel | 1 |
| 1331456 | 10.1021/jm00100a015 | Gamma-aminobutyric acid receptor subunit alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine