Compound Detail
CHEMBL4639383
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Basic Information
| ChEMBL ID | CHEMBL4639383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYFYPIMZQTVBKH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
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 | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.46 | 6.46 | 345.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.38 | 6.38 | 414.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 345.0 | nM | 6.46 | Inhibition of C-terminal His-tagged and N-terminal GST-tagged full length human ... | 32672458 |
| Histone deacetylase 6 | IC50 | = | 414.0 | nM | 6.38 | Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculo... | 32672458 |
| Histone deacetylase 8 | IC50 | = | 1040.0 | nM | 5.98 | Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addit... | 32672458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 8 | 2 |
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 3 | 1 |
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 6 | 1 |
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 11 | 1 |
Data from ChEMBL 36 via Core Engine