Compound Detail
CHEMBL520652
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Basic Information
| ChEMBL ID | CHEMBL520652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEZRFHGQDKRICV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL484188 |
| Active Moiety | CHEMBL484188 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
5.08
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.56 | 8.56 | 2.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.99 | 5.99 | 1024.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 2.76 | nM | 8.56 | Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Sprague-D... | 18834105 |
| Unchecked | Ki | = | 1024.0 | nM | 5.99 | Displacement of [3H]flunitrazepam from central benzodiazepine receptor in Spragu... | 18834105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18834105 | 10.1021/jm8006728 | Unchecked | 2 |
| 18834105 | 10.1021/jm8006728 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 18834105 | 10.1021/jm8006728 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine