Compound Detail
CHEMBL5414629
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Basic Information
| ChEMBL ID | CHEMBL5414629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXBWSVICDCLUCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
2.26
ALogP
5
HBA
3
HBD
84.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of human HDAC6 expressed in baculovirus expression system in Sf9 cell... | 37463500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37463500 | 10.1021/acs.jmedchem.3c00644 | Unchecked | 4 |
| 37463500 | 10.1021/acs.jmedchem.3c00644 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine