Compound Detail
CHEMBL160429
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Basic Information
| ChEMBL ID | CHEMBL160429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLOIRGPDHJSJPO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
4.89
ALogP
6
HBA
2
HBD
98.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial CHEMBL3444 | IC50 | 5.61 | 5.61 | 2454.7 | 1 |
| Malate dehydrogenase, cytoplasmic CHEMBL4048 | IC50 | 4.09 | 4.09 | 81283.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial | IC50 | = | 2454.71 | nM | 5.61 | Ability to inhibit mitochondrial malate dehydrogenase | 7086823 |
| Malate dehydrogenase, cytoplasmic | IC50 | = | 81283.05 | nM | 4.09 | Ability to inhibit cytoplasmic malate dehydrogenase | 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