Compound Detail
CHEMBL5426896
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Basic Information
| ChEMBL ID | CHEMBL5426896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USXBFTGGZAUGDB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.54
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.01 | 6.01 | 976.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 123.0 | nM | 6.91 | Inhibition of human recombinant HDAC6 using fluorogenic p53 (379-382 residues) (... | 36549114 |
| Histone deacetylase 3 | IC50 | = | 207.0 | nM | 6.68 | Inhibition of human recombinant HDAC3 using fluorogenic p53 (379-382 residues) (... | 36549114 |
| Histone deacetylase 8 | IC50 | = | 976.0 | nM | 6.01 | Inhibition of human recombinant HDAC8 using fluorogenic diacetylated p53 (379-38... | 36549114 |
| Histone deacetylase 4 | IC50 | = | 15800.0 | nM | 4.8 | Inhibition of human recombinant HDAC4 using fluorogenic class IIa (Bos-Lys(trifl... | 36549114 |
| Histone deacetylase 1 | IC50 | = | 94000.0 | nM | 4.03 | Inhibition of human recombinant HDAC1 using fluorogenic p53 (379-382 residues) (... | 36549114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 1 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 3 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 4 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 6 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine