Compound Detail
CHEMBL54627
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Basic Information
| ChEMBL ID | CHEMBL54627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTSIMBPOPMQFJZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
5.32
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.55 | 8.55 | 2.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 2.8 | nM | 8.55 | Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radio... | 15027878 |
| Translocator protein | Ki | = | 2.8 | nM | 8.55 | Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondria... | 18729350 |
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 |
| 18729350 | 10.1021/jm8003224 | Translocator protein | 1 |
| 18729350 | 10.1021/jm8003224 | C6 | 1 |
Data from ChEMBL 36 via Core Engine