Compound Detail
CHEMBL4173816
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Basic Information
| ChEMBL ID | CHEMBL4173816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAALAPNLDWSGJX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.34
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 7.54 | 7.285 | 28.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 28.9 | nM | 7.54 | Displacement of [3H]PK11195 from human wild type TSPO expressed in HEK293T cell ... | 30108706 |
| Translocator protein | Ki | = | 93.4 | nM | 7.03 | Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293T ce... | 30108706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108706 | 10.1039/C6MD00523C | Translocator protein | 2 |
| 30108706 | 10.1039/C6MD00523C | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine