Compound Detail
CHEMBL156108
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Basic Information
| ChEMBL ID | CHEMBL156108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHFJYZJYSZTRNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
6.48
ALogP
4
HBA
2
HBD
79.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial CHEMBL3444 | IC50 | 5.32 | 5.32 | 4786.3 | 1 |
| Ehrlich CHEMBL614641 | IC50 | 4.37 | 4.37 | 42657.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial | IC50 | = | 4786.3 | nM | 5.32 | Ability to inhibit mitochondrial malate dehydrogenase | 7086823 |
| Ehrlich | IC50 | = | 42657.95 | nM | 4.37 | Inhibition of Ehrlich ascites cell respiration | 7086823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7086823 | 10.1021/jm00343a011 | Malate dehydrogenase, mitochondrial | 1 |
| 7086823 | 10.1021/jm00343a011 | Malate dehydrogenase, cytoplasmic | 1 |
| 7086823 | 10.1021/jm00343a011 | NON-PROTEIN TARGET | 1 |
| 7086823 | 10.1021/jm00343a011 | Ehrlich | 1 |
Data from ChEMBL 36 via Core Engine