Compound Detail
CHEMBL247217
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Basic Information
| ChEMBL ID | CHEMBL247217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQKPXSLXHXNAIC-VQHVLOKHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.36
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | Inhibition of HDAC | 18247554 |
| Histone deacetylase 4 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human HDAC4 | 17588744 |
| Histone deacetylase 6 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of human HDAC6 | 17588744 |
| Histone deacetylase 1 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human HDAC1 | 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 |
| 18247554 | 10.1021/jm7011408 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine