Compound Detail
CHEMBL117444
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Basic Information
| ChEMBL ID | CHEMBL117444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVEJUNNTLYYMDH-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.70
ALogP
4
HBA
0
HBD
43.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.28
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.28 | 9.0433 | 0.5 | 3 |
| Translocator protein CHEMBL4552 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.52 | nM | 9.28 | Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat ... | 8784441 |
| Translocator protein | Ki | = | 1.1 | nM | 8.96 | Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine recep... | 8784441 |
| Translocator protein | IC50 | = | 1.3 | nM | 8.89 | Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine recepto... | 8784441 |
| Translocator protein | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine ... | 8784441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784441 | 10.1021/jm960251b | Translocator protein | 4 |
| 8784441 | 10.1021/jm960251b | Y-1 | 1 |
Data from ChEMBL 36 via Core Engine