Compound Detail
CHEMBL462469
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CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL462469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQSIXCSOKWANFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
6.09
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondria... | 18729350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18729350 | 10.1021/jm8003224 | Translocator protein | 1 |
| 18729350 | 10.1021/jm8003224 | C6 | 1 |
Data from ChEMBL 36 via Core Engine