Compound Detail
CHEMBL4445371
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Basic Information
| ChEMBL ID | CHEMBL4445371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMQWCLKWVDQSIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.98
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 6.25 | 6.25 | 562.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 562.5 | nM | 6.25 | Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell m... | 31419132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419132 | 10.1021/acs.jmedchem.9b00980 | Translocator protein | 2 |
| 31419132 | 10.1021/acs.jmedchem.9b00980 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine