Compound Detail
CHEMBL133313
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Basic Information
| ChEMBL ID | CHEMBL133313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFAGETZMINAACK-LFVJCYFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.9
MW (Da)
5.55
ALogP
3
HBA
0
HBD
53.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 26.0 | nM | 7.58 | Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Daw... | 18294852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863805 | 10.1021/jm960325j | Translocator protein | 1 |
| 18294852 | 10.1016/j.bmc.2007.06.044 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine