Compound Detail
CHEMBL2431906
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 | CHEMBL2431906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHONXOHKSLIKOD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
1.30
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.4 | 6.935 | 40.0 | 2 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of N-terminal GST-tagged recombinant HDAC6 (unknown origin) assessed ... | 23964961 |
| Histone deacetylase 6 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of HDAC6 in human HeLa cells using acetyl tubulin as substrate assess... | 23964961 |
| Histone deacetylase 8 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of full length C-terminal His6x-tagged recombinant human HDAC8 expres... | 23964961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23964961 | 10.1021/jm400385r | Histone deacetylase 6 | 3 |
| 23964961 | 10.1021/jm400385r | Unchecked | 2 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 8 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 11 | 1 |
| 23964961 | 10.1021/jm400385r | Polyamine deacetylase HDAC10 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 7 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 5 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 4 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 3 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 2 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 1 | 1 |
| 23964961 | 10.1021/jm400385r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine