Compound Detail
CHEMBL2333339
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Basic Information
| ChEMBL ID | CHEMBL2333339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJUUYALJVALNFT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
1.17
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.47 | 6.47 | 341.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.88 | 5.88 | 1330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of HDAC6 (unknown origin) assessed as fluorescence intensity measured... | 23368884 |
| Histone deacetylase 2 | IC50 | = | 341.0 | nM | 6.47 | Inhibition of HDAC2 (unknown origin) assessed as fluorescence intensity measured... | 23368884 |
| Histone deacetylase 8 | IC50 | = | 1330.0 | nM | 5.88 | Inhibition of HDAC8 (unknown origin) assessed as fluorescence intensity measured... | 23368884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23368884 | 10.1021/jm301355j | Histone deacetylase 8 | 1 |
| 23368884 | 10.1021/jm301355j | Histone deacetylase 6 | 1 |
| 23368884 | 10.1021/jm301355j | Histone deacetylase 4 | 1 |
| 23368884 | 10.1021/jm301355j | Histone deacetylase 2 | 1 |
Data from ChEMBL 36 via Core Engine