Compound Detail
CHEMBL4561802
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Basic Information
| ChEMBL ID | CHEMBL4561802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZFUEFJRDLOPTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.2
MW (Da)
4.08
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.36 | 5.36 | 4360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 4360.0 | nM | 5.36 | Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues)... | 31414801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31414801 | 10.1021/acs.jmedchem.9b00946 | Histone deacetylase 1 | 1 |
| 31414801 | 10.1021/acs.jmedchem.9b00946 | Histone deacetylase 6 | 1 |
| 31414801 | 10.1021/acs.jmedchem.9b00946 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine