Compound Detail
CHEMBL432608
ALPDEM 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 | CHEMBL432608 |
| Name | ALPDEM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYVWBXJKZUCSNI-UHFFFAOYSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
438.8
MW (Da)
6.15
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Ki 2 meas. best 9.39
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 9.39 | 9.39 | 0.4 | 1 |
| Translocator protein CHEMBL4552 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 9.0 | 8.4267 | 1.0 | 3 |
| Translocator protein CHEMBL5742 | EC50 | 6.47 | 6.47 | 337.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.41 | nM | 9.39 | Inhibition of TSPO (unknown origin) | 31404862 |
| Translocator protein | Ki | = | 0.5 | nM | 9.3 | Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane | 21133364 |
| Translocator protein | IC50 | = | 1.0 | nM | 9.0 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 2.63 | nM | 8.58 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 20.0 | nM | 7.7 | Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor | 9301675 |
| Translocator protein | EC50 | = | 337.0 | nM | 6.47 | Inhibition of TSPO (unknown origin) in mouse MA-10 cells assessed as increase in... | 33081988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508441 | 10.1021/jm991035g | Translocator protein | 2 |
| 10508441 | 10.1021/jm991035g | GABA-A receptor; anion channel | 1 |
| 10508441 | 10.1021/jm991035g | No relevant target | 1 |
| 9301675 | 10.1021/jm970112+ | GABA-A receptor; anion channel | 1 |
| 9301675 | 10.1021/jm970112+ | Translocator protein | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 21133364 | 10.1021/jm101230g | Translocator protein | 1 |
| 31404862 | 10.1016/j.ejmech.2019.111569 | Translocator protein | 1 |
| 33081988 | 10.1016/j.ejmech.2020.112924 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine