Compound Detail
CHEMBL245248
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Basic Information
| ChEMBL ID | CHEMBL245248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXBBGVBSWVBFNE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
1.71
ALogP
8
HBA
4
HBD
187.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malate dehydrogenase, cytoplasmic CHEMBL4048 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
| Malate dehydrogenase, mitochondrial CHEMBL3444 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malate dehydrogenase, cytoplasmic | IC50 | = | 13600.0 | nM | 4.87 | Inhibition of pig cytosolic MDH | 17636950 |
| Malate dehydrogenase, mitochondrial | IC50 | = | 17100.0 | nM | 4.77 | Inhibition of pig heart mitochondrial MDH | 17636950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17636950 | 10.1021/jm070336k | Malate dehydrogenase, mitochondrial | 1 |
| 17636950 | 10.1021/jm070336k | Malate dehydrogenase, cytoplasmic | 1 |
| 17636950 | 10.1021/jm070336k | Lactate dehydrogenase | 1 |
| 17636950 | 10.1021/jm070336k | Unchecked | 1 |
| 17636950 | 10.1021/jm070336k | Malate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine