Compound Detail
CHEMBL332801
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Basic Information
| ChEMBL ID | CHEMBL332801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTWSOACHIJCWAV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
5.75
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 5.18 | 5.18 | 6600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 6600.0 | nM | 5.18 | Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodi... | 12904061 |
| Translocator protein | IC50 | = | 6600.0 | nM | 5.18 | Displacement of [3H]CB34 from TSPO receptor in rat brain cortex membrane by liqu... | 34254805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12904061 | 10.1021/jm034068b | Translocator protein | 1 |
| 34254805 | 10.1021/acs.jmedchem.1c00379 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine