Compound Detail
CHEMBL246199
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Basic Information
| ChEMBL ID | CHEMBL246199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFRRSKDLVRTGSJ-XBXARRHUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.42
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 4 CHEMBL3524 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 4 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human HDAC4 | 17588744 |
| Histone deacetylase 1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of human HDAC1 | 17588744 |
| Histone deacetylase 6 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human HDAC6 | 17588744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17588744 | 10.1016/j.bmcl.2007.06.038 | Histone deacetylase 1 | 1 |
| 17588744 | 10.1016/j.bmcl.2007.06.038 | Histone deacetylase 4 | 1 |
| 17588744 | 10.1016/j.bmcl.2007.06.038 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine