Compound Detail
CHEMBL566831
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Basic Information
| ChEMBL ID | CHEMBL566831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIMWEDAKLBYHFA-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.50
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Class 1 histone deacetylase CHEMBL4523988 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| IGROV-1 CHEMBL613984 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Class 1 histone deacetylase | IC50 | = | 370.0 | nM | 6.43 | Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluo... | 31400937 |
| IGROV-1 | IC50 | = | 480.0 | nM | 6.32 | Antiproliferative activity against human IGROV1 cells assessed as growth inhibit... | 19833515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31400937 | 10.1016/j.bmcl.2019.08.002 | Class 1 histone deacetylase | 4 |
| 19833515 | 10.1016/j.bmcl.2009.09.075 | IGROV-1 | 1 |
| 19833515 | 10.1016/j.bmcl.2009.09.075 | Histone deacetylase 1 | 1 |
| 19833515 | 10.1016/j.bmcl.2009.09.075 | Histone deacetylase 6 | 1 |
| 31400937 | 10.1016/j.bmcl.2019.08.002 | Histone deacetylase 1 | 1 |
| 31400937 | 10.1016/j.bmcl.2019.08.002 | Histone deacetylase 2 | 1 |
| 31400937 | 10.1016/j.bmcl.2019.08.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine