Compound Detail
CHEMBL466171
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 | CHEMBL466171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UELDPZVVXAGZLE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
1.96
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of human recombinant HDAC1 | 19419863 |
| Histone deacetylase 6 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of human recombinant HDAC6 | 19419863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419863 | 10.1016/j.bmcl.2009.04.058 | NON-PROTEIN TARGET | 2 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | Histone deacetylase 1 | 1 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | Histone deacetylase 3 | 1 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | Histone deacetylase 6 | 1 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | Histone deacetylase 2 | 1 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | Polyamine deacetylase HDAC10 | 1 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | BXPC-3 | 1 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | HuP-T3 | 1 |
| 19419863 | 10.1016/j.bmcl.2009.04.058 | MIA PaCa-2 | 1 |
Data from ChEMBL 36 via Core Engine