Compound Detail
CHEMBL403323
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Basic Information
| ChEMBL ID | CHEMBL403323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGJCGXHQLHHNFO-MDZDMXLPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
2.72
ALogP
4
HBA
4
HBD
88.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of HDAC1 | 18247554 |
| Histone deacetylase 3 | IC50 | = | 3.7 | nM | 8.43 | Inhibition of HDAC3 | 18247554 |
| Histone deacetylase 6 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of HDAC6 | 18247554 |
| Histone deacetylase 8 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of HDAC8 | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 9 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 1 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 2 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 3 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 4 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 5 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 7 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 6 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine