Compound Detail
CHEMBL133406
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Basic Information
| ChEMBL ID | CHEMBL133406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNVLNRMXUGTHKQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.25
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 7.51 | 7.51 | 30.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 30.9 | nM | 7.51 | Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine... | 7990110 |
| Translocator protein | IC50 | = | 31.0 | nM | 7.51 | Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine... | 7990110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990110 | 10.1021/jm00050a007 | Translocator protein | 2 |
Data from ChEMBL 36 via Core Engine