Compound Detail
CHEMBL2425954
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Basic Information
| ChEMBL ID | CHEMBL2425954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNOVVOHLHNGPOH-CSKARUKUSA-N |
6
Targets
6
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 6 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.21 | 6.21 | 609.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.68 | 5.68 | 2090.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 5.29 | 5.29 | 5140.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 5.28 | 5.28 | 5220.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.13 | 5.13 | 7480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human recombinant HDAC6 expressed in baculovirus/sf9 cells using R... | 23905680 |
| Histone deacetylase 8 | IC50 | = | 609.0 | nM | 6.21 | Inhibition of human recombinant HDAC8 expressed in baculovirus/sf9 cells using R... | 23905680 |
| Histone deacetylase 1 | IC50 | = | 2090.0 | nM | 5.68 | Inhibition of human recombinant HDAC1 expressed in baculovirus/sf9 cells using R... | 23905680 |
| Polyamine deacetylase HDAC10 | IC50 | = | 5140.0 | nM | 5.29 | Inhibition of human recombinant HDAC10 expressed in baculovirus/sf9 cells using ... | 23905680 |
| Histone deacetylase 11 | IC50 | = | 5220.0 | nM | 5.28 | Inhibition of human recombinant HDAC11 expressed in baculovirus/sf9 cells using ... | 23905680 |
| Histone deacetylase 2 | IC50 | = | 7480.0 | nM | 5.13 | Inhibition of human recombinant HDAC2 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