Compound Detail
CHEMBL429386
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Basic Information
| ChEMBL ID | CHEMBL429386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHACLXKNCUGNGZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
6.79
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 6.09 | 6.09 | 810.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 810.0 | nM | 6.09 | In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor... | 9288173 |
| Translocator protein | IC50 | = | 812.83 | nM | 6.09 | In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine r... | 9288173 |
| Translocator protein | IC50 | = | 810.0 | nM | 6.09 | Test in vitro, for potential ability to displace [3H]1 from PBR in rat brain cor... | 11312914 |
| Translocator protein | IC50 | = | 810.0 | nM | 6.09 | Displacement of [3H]PK11195 from TSPO receptor in rat brain cortex membrane incu... | 34254805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9288173 | 10.1021/jm960516m | Translocator protein | 2 |
| 11312914 | 10.1021/jm0009742 | Translocator protein | 1 |
| 34254805 | 10.1021/acs.jmedchem.1c00379 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine