Compound Detail
CHEMBL4165684
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Basic Information
| ChEMBL ID | CHEMBL4165684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVFBZTABCOVCDI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
2.63
ALogP
6
HBA
2
HBD
99.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.86 | 6.86 | 139.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | 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 6 | IC50 | = | 139.0 | nM | 6.86 | Inhibition of human recombinant full-length HDAC6 expressed in baculovirus infec... | 29102179 |
| Polyamine deacetylase HDAC10 | IC50 | = | 1870.0 | nM | 5.73 | Inhibition of HDAC10 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate aft... | 29102179 |
| Histone deacetylase 8 | IC50 | = | 3050.0 | nM | 5.52 | Inhibition of HDAC8 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate afte... | 29102179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 6 | 5 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | ADMET | 2 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 1/2/3 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 11 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Polyamine deacetylase HDAC10 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 9 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 8 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 7 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 5 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 4 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 3 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 2 | 1 |
| 29102179 | 10.1016/j.ejmech.2017.10.022 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine