Compound Detail
CHEMBL469681
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Basic Information
| ChEMBL ID | CHEMBL469681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFXIZOLPHFYYMF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
4.80
ALogP
4
HBA
0
HBD
46.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.43 | 8.405 | 3.7 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 3.7 | nM | 8.43 | Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in rat kidne... | 18557607 |
| Translocator protein | Ki | = | 4.2 | nM | 8.38 | Displacement of [3H]Ro 5-4864 from peripheral benzodiazepine receptor in rat kid... | 18557607 |
| Unchecked | Ki | = | 800.0 | nM | 6.1 | Displacement of [3H]flumazenil from central benzodiazepine receptor in rat brain... | 18557607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18557607 | 10.1021/jm7014556 | Translocator protein | 2 |
| 18557607 | 10.1021/jm7014556 | No relevant target | 1 |
| 18557607 | 10.1021/jm7014556 | Unchecked | 1 |
| 18557607 | 10.1021/jm7014556 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine