Compound Detail
CHEMBL3727595
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 | CHEMBL3727595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBEYKNGCVKIDQV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.9
MW (Da)
4.52
ALogP
8
HBA
2
HBD
108.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial CHEMBL4766 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Pyruvate dehydrogenase kinase CHEMBL2096665 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | IC50 | = | 10.0 | nM | 8.0 | Inhibition of pyruvate dehydrogenase kinase 1 (unknown origin) assessed as reduc... | - |
| Pyruvate dehydrogenase kinase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of pyruvate dehydrogenase kinase in human PC3 cells incubated for 90 ... | - |
Data from ChEMBL 36 via Core Engine