Compound Detail
CHEMBL4445138
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Basic Information
| ChEMBL ID | CHEMBL4445138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSUMKTAJMGOPCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.09
ALogP
7
HBA
2
HBD
80.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expresse... | 31710483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Unchecked | 10 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | ADMET | 4 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Histone deacetylase 6 | 2 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Histone deacetylase | 2 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | 697 | 1 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine