Compound Detail
CHEMBL2179247
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Basic Information
| ChEMBL ID | CHEMBL2179247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZHNFBYCLJKJID-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
2.14
ALogP
4
HBA
4
HBD
99.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.86 | 6.86 | 139.0 | 3 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.58 | 6.58 | 265.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 139.0 | nM | 6.86 | Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs... | 23009203 |
| Histone deacetylase 6 | IC50 | = | 139.0 | nM | 6.86 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 6 | IC50 | = | 139.0 | nM | 6.86 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 1 | IC50 | = | 265.0 | nM | 6.58 | Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs... | 23009203 |
| Histone deacetylase 1 | IC50 | = | 265.0 | nM | 6.58 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 1 | IC50 | = | 265.0 | nM | 6.58 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23009203 | 10.1021/jm301098e | Unchecked | 1 |
| 23009203 | 10.1021/jm301098e | Histone deacetylase 6 | 1 |
| 23009203 | 10.1021/jm301098e | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine