Compound Detail
CHEMBL5401064
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 | CHEMBL5401064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUOPNNGHDOLXJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
3.18
ALogP
5
HBA
2
HBD
94.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial CHEMBL3774302 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of porcine PDHc E1-subunit incubated for 30 mins followed by pyruvate... | 38036274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38036274 | 10.1016/j.bmcl.2023.129571 | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine