Compound Detail
CHEMBL117025
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Basic Information
| ChEMBL ID | CHEMBL117025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVMJKXRMUNAYOA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
5.41
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.56
Ki 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 6.97 | 6.97 | 108.0 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 6.56 | 6.56 | 278.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 108.0 | nM | 6.97 | Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat ... | 8784441 |
| Translocator protein | IC50 | = | 278.0 | nM | 6.56 | Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine recepto... | 8784441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784441 | 10.1021/jm960251b | Translocator protein | 2 |
Data from ChEMBL 36 via Core Engine