Compound Detail
CHEMBL4093480
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Basic Information
| ChEMBL ID | CHEMBL4093480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHEWDXYTRTUNJV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
325.1
MW (Da)
3.36
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.76 | 6.755 | 175.0 | 2 |
| Histone deacetylase 8 CHEMBL3797017 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 175.0 | nM | 6.76 | Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expresse... | 29190092 |
| Histone deacetylase 8 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as s... | 34392190 |
| Histone deacetylase 8 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubate... | 34392190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29190092 | 10.1021/acs.jmedchem.7b01447 | Histone deacetylase 1 | 3 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | Histone deacetylase 6 | 3 |
| 34392190 | 10.1016/j.ejmech.2021.113745 | Histone deacetylase 8 | 2 |
| 34392190 | 10.1016/j.ejmech.2021.113745 | Schistosoma mansoni | 2 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | Histone deacetylase 8 | 1 |
| 29190092 | 10.1021/acs.jmedchem.7b01447 | HEK293 | 1 |
| 34392190 | 10.1016/j.ejmech.2021.113745 | Histone deacetylase 1 | 1 |
| 34392190 | 10.1016/j.ejmech.2021.113745 | Histone deacetylase 6 | 1 |
| 34392190 | 10.1016/j.ejmech.2021.113745 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine