Compound Detail
CHEMBL327693
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Basic Information
| ChEMBL ID | CHEMBL327693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTHARYIKZCDUSU-OAHLLOKOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.8
MW (Da)
3.22
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.23
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase CHEMBL2096665 | EC50 | 6.23 | 6.23 | 590.0 | 1 |
| Pyruvate dehydrogenase kinase CHEMBL2096665 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase | EC50 | = | 590.0 | nM | 6.23 | In vivo inhibion of pyruvate dehydrogenase kinase, increased oxidation of lactat... | 10425084 |
| Pyruvate dehydrogenase kinase | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary en... | 10425084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425084 | 10.1021/jm9902584 | Pyruvate dehydrogenase kinase | 3 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine