Compound Detail
CHEMBL129162
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Basic Information
| ChEMBL ID | CHEMBL129162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSAJEBWHGOFYER-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
4.85
ALogP
4
HBA
0
HBD
46.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 7.78 | 7.73 | 16.6 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.19 | 4.19 | 64565.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 16.6 | nM | 7.78 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 20.89 | nM | 7.68 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| GABA-A receptor; anion channel | IC50 | = | 64565.42 | nM | 4.19 | Affinity benzodiazepine receptor as ability to displace [3H]flunitrazepam from b... | 10508441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508441 | 10.1021/jm991035g | Translocator protein | 2 |
| 10508441 | 10.1021/jm991035g | GABA-A receptor; anion channel | 1 |
| 10508441 | 10.1021/jm991035g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine