Compound Detail
CHEMBL5280773
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Basic Information
| ChEMBL ID | CHEMBL5280773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYIWSBSEDMXMFQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
1.70
ALogP
4
HBA
4
HBD
73.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.55 | 5.55 | 2820.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 5.34 | 5.34 | 4610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 680.0 | nM | 6.17 | Inhibition of HDAC6 (unknown origin) | 33035922 |
| Histone deacetylase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HDAC (unknown origin) | 33035922 |
| Histone deacetylase 1 | IC50 | = | 2820.0 | nM | 5.55 | Inhibition of HDAC1 (unknown origin) | 33035922 |
| Polyamine deacetylase HDAC10 | IC50 | = | 4610.0 | nM | 5.34 | Inhibition of HDAC10 (unknown origin) | 33035922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 1 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 2 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 6 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Polyamine deacetylase HDAC10 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine