Compound Detail
CHEMBL53259
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Basic Information
| ChEMBL ID | CHEMBL53259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOYCOJWAFKTRII-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
8.31
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.24 | 8.24 | 5.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 5.8 | nM | 8.24 | Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radio... | 15027878 |
| Translocator protein | Ki | = | 5.8 | nM | 8.24 | Displacement of [3H]-PK11195 from rat kidney mitochondrial membrane TSPO recepto... | 33764065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33764065 | 10.1021/acs.jmedchem.0c01808 | Translocator protein | 2 |
| 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