Compound Detail
CHEMBL2425956
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2425956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STSNTVHQAOSMDW-ZHACJKMWSA-N |
4
Targets
4
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 4 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.31 | 4.31 | 48500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of human recombinant HDAC8 expressed in baculovirus/sf9 cells using R... | 23905680 |
| Histone deacetylase 6 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of human recombinant HDAC6 expressed in baculovirus/sf9 cells using R... | 23905680 |
| Polyamine deacetylase HDAC10 | IC50 | = | 29800.0 | nM | 4.53 | Inhibition of human recombinant HDAC10 expressed in baculovirus/sf9 cells using ... | 23905680 |
| Histone deacetylase 1 | IC50 | = | 48500.0 | nM | 4.31 | 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