Compound Detail
CHEMBL4562156
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Basic Information
| ChEMBL ID | CHEMBL4562156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZXICSPFLCBAKK-JLHYYAGUSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.76
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 6.88 | 6.755 | 132.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of recombinant human GST-fused HDAC1 expressed in HEK293 cells Fluor-... | 30245394 |
| Histone deacetylase 6 | IC50 | = | 107.0 | nM | 6.97 | Inhibition of recombinant human His-tagged HDAC6 expressed in baculovirus infect... | 30245394 |
| Histone deacetylase | IC50 | = | 132.0 | nM | 6.88 | Inhibition of HDAC in human HeLa cytosolic extract using Fluor-de-lys as substra... | 30245394 |
| Histone deacetylase | IC50 | = | 234.0 | nM | 6.63 | Inhibition of HDAC in human HeLa nuclear extract using Fluor-de-lys as substrate... | 30245394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30245394 | 10.1016/j.ejmech.2018.08.073 | Histone deacetylase | 2 |
| 30245394 | 10.1016/j.ejmech.2018.08.073 | Histone deacetylase 1 | 1 |
| 30245394 | 10.1016/j.ejmech.2018.08.073 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine