Compound Detail
CHEMBL1651236
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Basic Information
| ChEMBL ID | CHEMBL1651236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPXSAPLUDNTXOW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.58
ALogP
5
HBA
0
HBD
85.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 8.8 | 8.52 | 1.6 | 3 |
| Translocator protein CHEMBL4552 | Ki | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 1.57 | nM | 8.8 | Displacement of [11C]PK11195 from high affinity binding site of TSPO in human br... | 21133364 |
| Translocator protein | Ki | = | 1.82 | nM | 8.74 | Displacement of [11C]PK11195 from mixed affinity binding site of TSPO in human b... | 21133364 |
| Translocator protein | Ki | = | 5.7 | nM | 8.24 | Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane | 21133364 |
| Translocator protein | Ki | = | 9.53 | nM | 8.02 | Displacement of [11C]PK11195 from low affinity binding site of TSPO in human bra... | 21133364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21133364 | 10.1021/jm101230g | Translocator protein | 5 |
| 21428406 | 10.1021/jm2000536 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine