Compound Detail
CHEMBL2178345
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Basic Information
| ChEMBL ID | CHEMBL2178345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMOSUYKJZIGNFZ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
2.11
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of HDAC8 by fluorometric assay | 23116147 |
| Histone deacetylase 6 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of HDAC6 by fluorometric assay | 23116147 |
| Histone deacetylase 4 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of HDAC4 by fluorometric assay | 23116147 |
| Histone deacetylase | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of HDAC in human HeLa cells nuclear extracts by fluorometric assay | 23116147 |
| Histone deacetylase 1 | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of HDAC1 by fluorometric assay | 23116147 |
| Histone deacetylase 2 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of HDAC2 by fluorometric assay | 23116147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23116147 | 10.1021/jm300837y | Histone deacetylase 8 | 2 |
| 23116147 | 10.1021/jm300837y | Histone deacetylase | 2 |
| 23116147 | 10.1021/jm300837y | Histone deacetylase 6 | 1 |
| 23116147 | 10.1021/jm300837y | Histone deacetylase 4 | 1 |
| 23116147 | 10.1021/jm300837y | Histone deacetylase 2 | 1 |
| 23116147 | 10.1021/jm300837y | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine