Compound Detail
CHEMBL235702
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Basic Information
| ChEMBL ID | CHEMBL235702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKSCZYXAUUPGHW-KRWDZBQOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
3.33
ALogP
3
HBA
3
HBD
58.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL2878 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of mouse recombinant HDAC6 expressed in 293 cells | 17929798 |
| Histone deacetylase 4 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human recombinant HDAC4 expressed in 293 cells | 17929798 |
| Histone deacetylase 1 | IC50 | = | 560.0 | nM | 6.25 | Inhibition of human recombinant HDAC1 expressed in NIH3T3 cells | 17929798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17929798 | 10.1021/jm7009217 | Unchecked | 2 |
| 17929798 | 10.1021/jm7009217 | Histone deacetylase 1 | 1 |
| 17929798 | 10.1021/jm7009217 | Histone deacetylase 4 | 1 |
| 17929798 | 10.1021/jm7009217 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine