Compound Detail
CHEMBL4556111
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 | CHEMBL4556111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPCFWBLYYKBDHE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
1.92
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.52 | 5.52 | 3030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues)... | 31414801 |
| Histone deacetylase 1 | IC50 | = | 3030.0 | nM | 5.52 | Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 ... | 31414801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31414801 | 10.1021/acs.jmedchem.9b00946 | Histone deacetylase 1 | 1 |
| 31414801 | 10.1021/acs.jmedchem.9b00946 | Histone deacetylase 6 | 1 |
| 31414801 | 10.1021/acs.jmedchem.9b00946 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine