Compound Detail
CHEMBL1911612
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Cc1c2ccccc2nc2c1c(=O)n(-c1ccccc1)n2CC(=O)N(Cc1ccccc1)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1911612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXMZSZXHRJDQDF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
5.88
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 5.46 | 5.46 | 3464.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 3464.0 | nM | 5.46 | 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 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine