Compound Detail
CHEMBL4206647
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Basic Information
| ChEMBL ID | CHEMBL4206647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJCQQPHNNSVEMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
0.72
ALogP
5
HBA
4
HBD
124.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of HDAC8 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as subst... | 29533873 |
| Histone deacetylase 6 | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate prei... | 29533873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29533873 | 10.1016/j.ejmech.2018.03.002 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
| 29533873 | 10.1016/j.ejmech.2018.03.002 | Histone deacetylase 2 | 1 |
| 29533873 | 10.1016/j.ejmech.2018.03.002 | Histone deacetylase 6 | 1 |
| 29533873 | 10.1016/j.ejmech.2018.03.002 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine