Compound Detail
CHEMBL4860396
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Basic Information
| ChEMBL ID | CHEMBL4860396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPDJOGLRMYEITN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.17
ALogP
5
HBA
2
HBD
71.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.53 | 6.53 | 295.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human HDAC6 preincubated for 15 mins followed by substrate additio... | 33799069 |
| Histone deacetylase 1 | IC50 | = | 295.0 | nM | 6.53 | Inhibition of human HDAC1 preincubated for 15 mins followed by substrate additio... | 33799069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33799069 | 10.1016/j.ejmech.2021.113383 | Histone deacetylase 6 | 1 |
| 33799069 | 10.1016/j.ejmech.2021.113383 | Histone deacetylase 1 | 1 |
| 33799069 | 10.1016/j.ejmech.2021.113383 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine