Compound Detail
CHEMBL483131
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Basic Information
| ChEMBL ID | CHEMBL483131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJIFXKOIKACWEI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.3
MW (Da)
4.94
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.18
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 7.18 | 7.18 | 66.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 63.1 | nM | 7.2 | Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane | 18472268 |
| Translocator protein | IC50 | = | 66.5 | nM | 7.18 | Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane | 18472268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18472268 | 10.1016/j.bmc.2008.04.046 | Translocator protein | 4 |
Data from ChEMBL 36 via Core Engine