Compound Detail
CHEMBL2068817
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Basic Information
| ChEMBL ID | CHEMBL2068817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHZBNHMEIOBPAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.44
ALogP
4
HBA
0
HBD
51.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Translocator protein CHEMBL5742 | Ki | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.7 | nM | 9.15 | Inhibition of rat TSPO | 25725375 |
| Translocator protein | Ki | = | 2.5 | nM | 8.6 | Inhibition of human TSPO | 25725375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 25725375 | 10.1016/j.ejmech.2015.02.004 | Translocator protein | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine