Compound Detail
CHEMBL4636672
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Basic Information
| ChEMBL ID | CHEMBL4636672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUKKOILSTCMWPL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.2
MW (Da)
4.10
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.17 | 6.17 | 672.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.17 | 6.17 | 682.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 112.0 | nM | 6.95 | Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculo... | 32672458 |
| Histone deacetylase 3 | IC50 | = | 672.0 | nM | 6.17 | Inhibition of C-terminal His-tagged and N-terminal GST-tagged full length human ... | 32672458 |
| Histone deacetylase 8 | IC50 | = | 682.0 | nM | 6.17 | Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculov... | 32672458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 8 | 1 |
Data from ChEMBL 36 via Core Engine