Compound Detail
CHEMBL115004
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL115004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUFKJGCEDSNQSX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.30
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Ki 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 6.12 | 6.12 | 754.0 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 754.0 | nM | 6.12 | Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat ... | 8784441 |
| Translocator protein | IC50 | = | 1930.0 | nM | 5.71 | Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine recepto... | 8784441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784441 | 10.1021/jm960251b | Translocator protein | 2 |
Data from ChEMBL 36 via Core Engine