Compound Detail
CHEMBL79457
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Basic Information
| ChEMBL ID | CHEMBL79457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLPIBTKZNMKQHO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
3.27
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.95
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase CHEMBL2096663 | IC50 | 6.75 | 6.75 | 179.0 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase | IC50 | = | 179.0 | nM | 6.75 | Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor... | 10649979 |
| Homo sapiens | EC50 | = | 1120.0 | nM | 5.95 | Effective concentration required to increase the oxidation of lactate in cellula... | 10649979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649979 | 10.1021/jm990358+ | Pyruvate dehydrogenase kinase | 1 |
| 10649979 | 10.1021/jm990358+ | Homo sapiens | 1 |
| 10649979 | 10.1021/jm990358+ | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine