Compound Detail
CHEMBL53430
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Basic Information
| ChEMBL ID | CHEMBL53430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYLUJXJVFRCGSA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
7.15
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.43 | 9.43 | 0.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.37 | nM | 9.43 | Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radio... | 15027878 |
| Translocator protein | Ki | = | 0.37 | nM | 9.43 | Displacement of [3H]PK 11195 from peripheral-type benzodiazepine receptor in rat... | 17228885 |
| Translocator protein | Ki | = | 0.37 | nM | 9.43 | Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane | 21133364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228885 | 10.1021/jm061137o | Translocator protein | 3 |
| 21133364 | 10.1021/jm101230g | 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