Compound Detail
CHEMBL256440
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 | CHEMBL256440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHWNADCYYRKHOX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.64
ALogP
4
HBA
2
HBD
68.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.19 | 7.19 | 65.0 | 2 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of HDAC1 | 18182289 |
| Histone deacetylase 1 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of human HDAC1 expressed in mammalian cells | 18951790 |
| Histone deacetylase 2 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of human HDAC2 expressed in mammalian cells | 18951790 |
| Histone deacetylase 3 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of human HDAC3 expressed in mammalian cells | 18951790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18182289 | 10.1016/j.bmcl.2007.12.031 | Histone deacetylase 1 | 1 |
| 18182289 | 10.1016/j.bmcl.2007.12.031 | Histone deacetylase 4 | 1 |
| 18182289 | 10.1016/j.bmcl.2007.12.031 | Histone deacetylase 5 | 1 |
| 18182289 | 10.1016/j.bmcl.2007.12.031 | Histone deacetylase 6 | 1 |
| 18182289 | 10.1016/j.bmcl.2007.12.031 | Histone deacetylase 7 | 1 |
| 18182289 | 10.1016/j.bmcl.2007.12.031 | Histone deacetylase 8 | 1 |
| 18182289 | 10.1016/j.bmcl.2007.12.031 | Histone deacetylase 11 | 1 |
| 18951790 | 10.1016/j.bmcl.2008.10.052 | Unchecked | 1 |
| 18951790 | 10.1016/j.bmcl.2008.10.052 | Histone deacetylase 1 | 1 |
| 18951790 | 10.1016/j.bmcl.2008.10.052 | HCT-116 | 1 |
| 18951790 | 10.1016/j.bmcl.2008.10.052 | Histone deacetylase 2 | 1 |
| 18951790 | 10.1016/j.bmcl.2008.10.052 | Histone deacetylase 3 | 1 |
Data from ChEMBL 36 via Core Engine