Compound Detail
CHEMBL484489
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Basic Information
| ChEMBL ID | CHEMBL484489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMHPCBFDYDBBIL-SOFGYWHQSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
2.67
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.79 | 5.79 | 1619.7 | 1 |
| HeLa CHEMBL399 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human recombinant HDAC6 | 18672316 |
| Histone deacetylase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant HDAC2 | 18672316 |
| Histone deacetylase 1 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of human recombinant HDAC1 | 18672316 |
| Histone deacetylase 9 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of human recombinant HDAC9 | 18672316 |
| Histone deacetylase 4 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of human recombinant HDAC4 | 18672316 |
| Histone deacetylase 3 | IC50 | = | 4.9 | nM | 8.31 | Inhibition of human recombinant HDAC3 | 18672316 |
| Histone deacetylase 7 | IC50 | = | 6.3 | nM | 8.2 | Inhibition of human recombinant HDAC7 | 18672316 |
| Histone deacetylase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of HDAC from human HeLa cells | 18672316 |
| Histone deacetylase 8 | IC50 | = | 1619.7 | nM | 5.79 | Inhibition of human recombinant HDAC8 | 18672316 |
| HeLa | IC50 | = | 6300.0 | nM | 5.2 | Antiproliferative activity against human HeLa cells after 4 hrs by WST-1 assay | 18672316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672316 | 10.1016/j.ejmech.2008.06.020 | P388 | 2 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 1 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 2 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 3 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 4 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 5 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 6 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 7 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 8 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase 9 | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine