Compound Detail
CHEMBL220661
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Basic Information
| ChEMBL ID | CHEMBL220661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOAXNBLXRXDWBN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
4.96
ALogP
5
HBA
0
HBD
50.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.55
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 2.07 | nM | 8.68 | Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Sprague-D... | 18834105 |
| Translocator protein | IC50 | = | 2.81 | nM | 8.55 | Displacement of [3H]PK 11195 from PBR in Sprague-Dawley rat cerebral cortex | 17286392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18834105 | 10.1021/jm8006728 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 17286392 | 10.1021/jm0612160 | Translocator protein | 1 |
| 17286392 | 10.1021/jm0612160 | Unchecked | 1 |
| 18834105 | 10.1021/jm8006728 | Unchecked | 1 |
| 18834105 | 10.1021/jm8006728 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine