Compound Detail
CHEMBL5570728
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Basic Information
| ChEMBL ID | CHEMBL5570728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZJOOMLXWWDHHV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.11
ALogP
6
HBA
3
HBD
103.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human recombinant HDAC1 using Ac-RHKK(Acetyl)-AMC peptide as fluor... | 37708798 |
| Histone deacetylase 2 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human recombinant HDAC2 using Ac-RHKK(Acetyl)-AMC peptide as fluor... | 37708798 |
| Histone deacetylase 3 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of human recombinant HDAC3 using Ac-RHKK(Acetyl)-AMC peptide as fluor... | 37708798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37708798 | 10.1016/j.ejmech.2023.115800 | Histone deacetylase 1 | 1 |
| 37708798 | 10.1016/j.ejmech.2023.115800 | Histone deacetylase 2 | 1 |
| 37708798 | 10.1016/j.ejmech.2023.115800 | Histone deacetylase 3 | 1 |
Data from ChEMBL 36 via Core Engine