Compound Detail
CHEMBL4161842
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Basic Information
| ChEMBL ID | CHEMBL4161842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZRSANOBFLAIGO-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
4.84
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 7.16 | 6.7367 | 70.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 70.0 | nM | 7.16 | Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell m... | 31419132 |
| Translocator protein | Ki | = | 91.6 | nM | 7.04 | Displacement of [3H]PK11195 from human wild type TSPO expressed in HEK293T cell ... | 30108706 |
| Translocator protein | Ki | = | 91.6 | nM | 7.04 | Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in h... | 32920427 |
| Translocator protein | Ki | = | 318.5 | nM | 6.5 | Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cel... | 31419132 |
| Translocator protein | Ki | = | 459.6 | nM | 6.34 | Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293T ce... | 30108706 |
| Translocator protein | Ki | = | 459.6 | nM | 6.34 | Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed i... | 32920427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419132 | 10.1021/acs.jmedchem.9b00980 | Translocator protein | 6 |
| 30108706 | 10.1039/C6MD00523C | HEK-293T | 4 |
| 30108706 | 10.1039/C6MD00523C | Translocator protein | 2 |
| 32920427 | 10.1016/j.ejmech.2020.112725 | Translocator protein | 2 |
| 30108706 | 10.1039/C6MD00523C | Unchecked | 1 |
| 31419132 | 10.1021/acs.jmedchem.9b00980 | Unchecked | 1 |
| 32920427 | 10.1016/j.ejmech.2020.112725 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine