Compound Detail
CHEMBL5564305
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Basic Information
| ChEMBL ID | CHEMBL5564305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSYIKRGVAJNXPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
1.67
ALogP
5
HBA
3
HBD
97.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human recombinant His-tagged HDAC8 expressed in Escherichia coli B... | 37708798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37708798 | 10.1016/j.ejmech.2023.115800 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine