Compound Detail
CHEMBL54403
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 | CHEMBL54403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFWFXLUCSLGFIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.59
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 2.4 | nM | 8.62 | Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radio... | 15027878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027878 | 10.1021/jm030973k | Translocator protein | 1 |
| 15027878 | 10.1021/jm030973k | GABA-A receptor; anion channel | 1 |
| 15027878 | 10.1021/jm030973k | Cholesterol side-chain cleavage enzyme, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine