Compound Detail
CHEMBL227119
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Basic Information
| ChEMBL ID | CHEMBL227119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJIZCQBWUCHHAR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
0.45
ALogP
4
HBA
4
HBD
93.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.34 | 7.34 | 45.5 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 6.75 | 6.75 | 178.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.31 | 6.31 | 492.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 45.5 | nM | 7.34 | Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assa... | 17539623 |
| Histone deacetylase 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assa... | 17539623 |
| Polyamine deacetylase HDAC10 | IC50 | = | 178.0 | nM | 6.75 | Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based ass... | 17539623 |
| Histone deacetylase 2 | IC50 | = | 492.0 | nM | 6.31 | Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assa... | 17539623 |
| Histone deacetylase 8 | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of His-tagged HDAC8 expressed in Sf9 cells by fluorescence-based assa... | 17539623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17539623 | 10.1021/jm070178x | Histone deacetylase 1 | 1 |
| 17539623 | 10.1021/jm070178x | Histone deacetylase 2 | 1 |
| 17539623 | 10.1021/jm070178x | Histone deacetylase 8 | 1 |
| 17539623 | 10.1021/jm070178x | Polyamine deacetylase HDAC10 | 1 |
| 17539623 | 10.1021/jm070178x | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine