Compound Detail
CHEMBL288551
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Basic Information
| ChEMBL ID | CHEMBL288551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGXDSIINDRBSII-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
5.11
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Ki 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.46 | 8.255 | 3.5 | 2 |
| Translocator protein CHEMBL4552 | IC50 | 8.05 | 8.0467 | 9.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 3.5 | nM | 8.46 | Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat ... | 8784441 |
| Translocator protein | IC50 | = | 9.0 | nM | 8.05 | Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine recepto... | 8784441 |
| Translocator protein | IC50 | = | 9.0 | nM | 8.05 | Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine rec... | 8182701 |
| Translocator protein | Ki | = | 9.0 | nM | 8.05 | Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor | 7473601 |
| Translocator protein | IC50 | = | 9.12 | nM | 8.04 | Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine... | 7990110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784441 | 10.1021/jm960251b | Translocator protein | 2 |
| 7473601 | 10.1021/jm00023a013 | Translocator protein | 1 |
| 8182701 | 10.1021/jm00036a007 | Translocator protein | 1 |
| 7990110 | 10.1021/jm00050a007 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine