Compound Detail
CHEMBL178858
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Basic Information
| ChEMBL ID | CHEMBL178858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNAYGIHXLJPISJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.78
ALogP
4
HBA
3
HBD
71.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of HDAC in human HeLa cells | 20223566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713393 | 10.1016/j.bmcl.2005.01.006 | Histone deacetylase | 1 |
| 20223566 | 10.1016/j.ejmech.2010.02.030 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine