Compound Detail
CHEMBL461828
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL461828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWDPHNDOJKUWIO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
6.37
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.48 | 8.48 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 3.33 | nM | 8.48 | Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondria... | 18729350 |
| Translocator protein | Ki | = | 3.33 | nM | 8.48 | Displacement of [3H]PK11195 from TSPO in rat kidney membrane | 19133775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18729350 | 10.1021/jm8003224 | Translocator protein | 1 |
| 18729350 | 10.1021/jm8003224 | C6 | 1 |
| 19133775 | 10.1021/jm8011678 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine