Compound Detail
CHEMBL57226
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 | CHEMBL57226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFFDPSIPMOWSBG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.96
ALogP
3
HBA
4
HBD
94.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) CHEMBL2111429 | IC50 | 7.9 | 7.9 | 12.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) | IC50 | = | 12.5 | nM | 7.9 | Inhibitory activity was tested against histone deacetylase (HDAC). | 12749893 |
| Unchecked | IC50 | = | 14.0 | nM | 7.85 | Inhibition of HDAC in Sprague-Dawley rat hepatocytes using Fluor de Lys as subst... | 34826681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749893 | 10.1016/s0960-894x(03)00301-9 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
| 34826681 | 10.1016/j.bmc.2021.116510 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine