Compound Detail
CHEMBL123851
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Basic Information
| ChEMBL ID | CHEMBL123851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEQWJVMWXBZLPN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.21
ALogP
5
HBA
0
HBD
48.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.3 | 7.3 | 49.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 49.7 | nM | 7.3 | Binding affinity against benzodiazepine receptor (BzR) in rat cortical membranes... | 8809170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809170 | 10.1021/jm960070+ | GABA-A receptor; anion channel | 2 |
| 8809170 | 10.1021/jm960070+ | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 8809170 | 10.1021/jm960070+ | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
| 8809170 | 10.1021/jm960070+ | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine