Compound Detail
CHEMBL2425953
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Basic Information
| ChEMBL ID | CHEMBL2425953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUKBDBQCXIHWRC-ZHACJKMWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.21
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.73 | 4.73 | 18600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 1060.0 | nM | 5.97 | Inhibition of human recombinant HDAC8 expressed in baculovirus/sf9 cells using R... | 23905680 |
| Histone deacetylase 6 | IC50 | = | 1920.0 | nM | 5.72 | Inhibition of human recombinant HDAC6 expressed in baculovirus/sf9 cells using R... | 23905680 |
| Histone deacetylase 1 | IC50 | = | 18600.0 | nM | 4.73 | Inhibition of human recombinant HDAC1 expressed in baculovirus/sf9 cells using R... | 23905680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23905680 | 10.1021/jm400564j | Amyloid-beta precursor protein | 2 |
| 23905680 | 10.1021/jm400564j | Unchecked | 2 |
| 23905680 | 10.1021/jm400564j | Vero | 1 |
| 23905680 | 10.1021/jm400564j | PC-12 | 1 |
| 23905680 | 10.1021/jm400564j | ADMET | 1 |
| 23905680 | 10.1021/jm400564j | Histone deacetylase 11 | 1 |
| 23905680 | 10.1021/jm400564j | Polyamine deacetylase HDAC10 | 1 |
| 23905680 | 10.1021/jm400564j | Histone deacetylase 6 | 1 |
| 23905680 | 10.1021/jm400564j | Histone deacetylase 8 | 1 |
| 23905680 | 10.1021/jm400564j | Histone deacetylase 2 | 1 |
| 23905680 | 10.1021/jm400564j | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine