Compound Detail
CHEMBL329794
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL329794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRSBFZYLDPYLPY-SECBINFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.2
MW (Da)
1.75
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase CHEMBL2096663 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Pyruvate dehydrogenase kinase CHEMBL2096665 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase | IC50 | = | 6200.0 | nM | 5.21 | Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor... | 10649979 |
| Pyruvate dehydrogenase kinase | IC50 | = | 6200.0 | nM | 5.21 | In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary en... | 10425084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649979 | 10.1021/jm990358+ | Pyruvate dehydrogenase kinase | 1 |
| 10425084 | 10.1021/jm9902584 | Pyruvate dehydrogenase kinase | 1 |
Data from ChEMBL 36 via Core Engine