Compound Detail
CHEMBL5891478
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Basic Information
| ChEMBL ID | CHEMBL5891478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYRGQYWDWZHBQJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
2.61
ALogP
7
HBA
3
HBD
105.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 25.0 | nM | 7.6 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
| Histone deacetylase 8 | IC50 | = | 1420.0 | nM | 5.85 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
| Histone deacetylase 11 | IC50 | = | 3800.0 | nM | 5.42 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
| Histone deacetylase 1 | IC50 | = | 4380.0 | nM | 5.36 | Enzymatic Assay: The IC50 values for aforementioned compounds against HDACs were... | - |
Data from ChEMBL 36 via Core Engine