Compound Detail
CHEMBL5438547
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Basic Information
| ChEMBL ID | CHEMBL5438547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYLLWOOONQPPPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
2.51
ALogP
9
HBA
3
HBD
131.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 199.53 | nM | 6.7 | Inhibition of HDAC6 in human BEAS-2B cells assessed as deacetylation of acetylat... | 37797307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37797307 | 10.1021/acs.jmedchem.3c01269 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine