Compound Detail
CHEMBL2178343
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Basic Information
| ChEMBL ID | CHEMBL2178343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIOBOFRJLHUCLQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.37
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HDAC8 by fluorometric assay | 23116147 |
| Histone deacetylase 6 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of HDAC6 by fluorometric assay | 23116147 |
| Histone deacetylase | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of HDAC in human HeLa cells nuclear extracts by fluorometric assay | 23116147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23116147 | 10.1021/jm300837y | Histone deacetylase 8 | 3 |
| 23116147 | 10.1021/jm300837y | Histone deacetylase | 3 |
| 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