Compound Detail
CHEMBL115470
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 | CHEMBL115470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMPKONDQOQSCTG-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.34
ALogP
5
HBA
0
HBD
92.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.85
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.85 | 8.5367 | 1.4 | 3 |
| Translocator protein CHEMBL4552 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 1.4 | nM | 8.85 | Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat ... | 8784441 |
| Translocator protein | IC50 | = | 3.6 | nM | 8.44 | Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine recepto... | 8784441 |
| Translocator protein | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine ... | 8784441 |
| Translocator protein | Ki | = | 4.8 | nM | 8.32 | Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine recep... | 8784441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784441 | 10.1021/jm960251b | Translocator protein | 4 |
Data from ChEMBL 36 via Core Engine