Compound Detail
CHEMBL4160522
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Basic Information
| ChEMBL ID | CHEMBL4160522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRUVCGVXUWSDQY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
3.93
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Histone deacetylase 8 CHEMBL3797017 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.67 | 4.67 | 21400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculov... | 30347148 |
| Histone deacetylase 8 | IC50 | = | 97.0 | nM | 7.01 | Inhibition of Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli... | 30347148 |
| Histone deacetylase 8 | IC50 | = | 155.0 | nM | 6.81 | Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli B... | 30347148 |
| Histone deacetylase 1 | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of C-terminal FLAG/His-tagged full length human HDAC1 expressed in ba... | 30347148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30347148 | 10.1021/acs.jmedchem.8b01087 | Histone deacetylase 8 | 2 |
| 30347148 | 10.1021/acs.jmedchem.8b01087 | Histone deacetylase 1 | 1 |
| 30347148 | 10.1021/acs.jmedchem.8b01087 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine