Compound Detail
CHEMBL5563416
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Basic Information
| ChEMBL ID | CHEMBL5563416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRQWQDRHXBNJHE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
3.25
ALogP
4
HBA
2
HBD
61.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
IC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit, mitochondrial CHEMBL4523305 | EC50 | 5.96 | 5.96 | 1110.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit, mitochondrial | EC50 | = | 1110.0 | nM | 5.96 | Agonist activity at human Casein lysing protease P (HsClpP) assessed as increase... | 38620134 |
| MV4-11 | IC50 | = | 1610.0 | nM | 5.79 | Anti-leukemia activity against human MV4-11 cells assessed as decrease in cell p... | 38620134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38620134 | 10.1021/acs.jmedchem.4c00338 | ATP-dependent Clp protease proteolytic subunit, mitochondrial | 2 |
| 38620134 | 10.1021/acs.jmedchem.4c00338 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine