Compound Detail
CHEMBL137875
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 | CHEMBL137875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHPUZVCVKWWYDW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.97
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts | 14698179 |
| Histone deacetylase 6 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of Histone deacetylase 6 (HDAC6) of HeLa nuclear extracts | 14698179 |
| Histone deacetylase 1 | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of Histone deacetylase 1 (HDAC1) of HeLa nuclear extracts | 14698179 |
| Histone deacetylase 2 | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts | 14698179 |
| Histone deacetylase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Histone deacetylase (HDAC)of HeLa nuclear extracts | 14698179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 1 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 2 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 6 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 8 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine