Compound Detail
CHEMBL136030
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Basic Information
| ChEMBL ID | CHEMBL136030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXRYSBDDBRGKOJ-NBVRZTHBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
4.38
ALogP
3
HBA
0
HBD
53.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 6.54 | 6.54 | 290.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 290.0 | nM | 6.54 | Binding affinity against peripheral benzodiazepine receptor( PBR). | 8863805 |
| Translocator protein | IC50 | = | 290.0 | nM | 6.54 | Displacement of [3H]PK11195 from TSPO receptor in rat brain cortex membrane incu... | 34254805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863805 | 10.1021/jm960325j | Translocator protein | 1 |
| 8863805 | 10.1021/jm960325j | GABA-A receptor; anion channel | 1 |
| 34254805 | 10.1021/acs.jmedchem.1c00379 | Unchecked | 1 |
| 34254805 | 10.1021/acs.jmedchem.1c00379 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine