Compound Detail
CHEMBL5981827
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CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1c1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL5981827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZXFYHXMNLMKGL-JTQLQIEISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
3.87
ALogP
6
HBA
0
HBD
85.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 16.0 | nM | 7.8 | Enzymatic Assay: HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared i... | - |
| Histone deacetylase 5 | IC50 | = | 17.0 | nM | 7.77 | Enzymatic Assay: HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from ... | - |
| Histone deacetylase 1 | IC50 | = | 1300.0 | nM | 5.89 | Enzymatic Assay: HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared i... | - |
| Histone deacetylase 8 | IC50 | = | 7400.0 | nM | 5.13 | Enzymatic Assay: HDAC8 reagents: HDAC8 was purchased from Enzo Life Sciences [ca... | - |
Data from ChEMBL 36 via Core Engine