Compound Detail
CHEMBL5176393
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Basic Information
| ChEMBL ID | CHEMBL5176393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOWNNPKBATYOEX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.19
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.96 | 7.63 | 11.0 | 2 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.31 | 7.305 | 49.0 | 2 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of HDAC1 (unknown origin) | 33714914 |
| Histone deacetylase 2 | IC50 | = | 49.0 | nM | 7.31 | Inhibition of HDAC2 (unknown origin) | 33714914 |
| Histone deacetylase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Histone Deacetylase Enzymatic Activity Assay: HDAC1: The following... | - |
| Histone deacetylase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Histone Deacetylase Enzymatic Activity Assay: HDAC2: The following... | - |
| Histone deacetylase 3 | IC50 | = | 3050.0 | nM | 5.52 | Inhibition of Histone Deacetylase Enzymatic Activity Assay: HDAC3: The following... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33714914 | 10.1016/j.ejmech.2021.113332 | Histone deacetylase 1 | 1 |
| 33714914 | 10.1016/j.ejmech.2021.113332 | Histone deacetylase 2 | 1 |
Data from ChEMBL 36 via Core Engine