Compound Detail
CHEMBL5968609
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Basic Information
| ChEMBL ID | CHEMBL5968609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPAPJOGDXUPDID-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
2.38
ALogP
6
HBA
2
HBD
93.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.31 | 6.31 | 486.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.8 | 4.8 | 15820.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 4.43 | 4.43 | 37500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 24.0 | nM | 7.62 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
| Histone deacetylase 8 | IC50 | = | 486.0 | nM | 6.31 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
| Histone deacetylase 1 | IC50 | = | 15820.0 | nM | 4.8 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
| Histone deacetylase 11 | IC50 | = | 37500.0 | nM | 4.43 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
Data from ChEMBL 36 via Core Engine