Compound Detail
CHEMBL3923539
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Basic Information
| ChEMBL ID | CHEMBL3923539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIGBQKDVLIDREO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.47
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 2.2 | nM | 8.66 | Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by sc... | 27688189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27688189 | 10.1016/j.ejmech.2016.09.025 | ADMET | 3 |
| 27688189 | 10.1016/j.ejmech.2016.09.025 | Translocator protein | 1 |
| 27688189 | 10.1016/j.ejmech.2016.09.025 | Unchecked | 1 |
| 27688189 | 10.1016/j.ejmech.2016.09.025 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine