Compound Detail
CHEMBL1911619
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Cc1c2ccccc2nc2c1c(=O)n(-c1ccc(Cl)cc1)n2CC(=O)N(C)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1911619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHEUBKVTYKNEOF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
5.62
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 16.0 | nM | 7.8 | Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates af... | 21916402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21916402 | 10.1021/jm200770f | Rattus norvegicus | 12 |
| 21916402 | 10.1021/jm200770f | Mus musculus | 3 |
| 21916402 | 10.1021/jm200770f | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine