Compound Detail
CHEMBL97269
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Basic Information
| ChEMBL ID | CHEMBL97269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBSLTMXDXGLXQQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
6.33
ALogP
1
HBA
1
HBD
36.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.41 | 8.41 | 3.9 | 2 |
| Translocator protein CHEMBL5742 | Ki | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 3.9 | nM | 8.41 | Binding affinity against mitochondrial DBI complex (peripheral benzodiazepine re... | 8411007 |
| Translocator protein | Ki | = | 3.9 | nM | 8.41 | Inhibition of TSPO (unknown origin) | 31404862 |
| Translocator protein | Ki | = | 3.9 | nM | 8.41 | Displacement of [3H]PK11195 from TSPO receptor in rat brain cortex membrane incu... | 34254805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411007 | 10.1021/jm00072a010 | GABA-A receptor; anion channel | 4 |
| 8411007 | 10.1021/jm00072a010 | Unchecked | 4 |
| 8411007 | 10.1021/jm00072a010 | Opioid receptor | 2 |
| 8411007 | 10.1021/jm00072a010 | Adrenergic receptor alpha | 2 |
| 8411007 | 10.1021/jm00072a010 | Translocator protein | 1 |
| 8411007 | 10.1021/jm00072a010 | Glutamate NMDA receptor | 1 |
| 8411007 | 10.1021/jm00072a010 | Serotonin 1 (5-HT1) receptor | 1 |
| 8411007 | 10.1021/jm00072a010 | Gastrin/cholecystokinin type B receptor | 1 |
| 8411007 | 10.1021/jm00072a010 | Adrenergic receptor beta | 1 |
| 8411007 | 10.1021/jm00072a010 | Cannabinoid receptor 1 | 1 |
| 31404862 | 10.1016/j.ejmech.2019.111569 | Unchecked | 1 |
| 31404862 | 10.1016/j.ejmech.2019.111569 | Translocator protein | 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