Compound Detail
CHEMBL4780849
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Basic Information
| ChEMBL ID | CHEMBL4780849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRPKLZQNSPTYPM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
2.72
ALogP
7
HBA
3
HBD
105.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.47 | 5.47 | 3370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic sub... | 32803970 |
| Histone deacetylase 1 | IC50 | = | 3370.0 | nM | 5.47 | Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic sub... | 32803970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32803970 | 10.1021/acs.jmedchem.9b01888 | Histone deacetylase 1 | 1 |
| 32803970 | 10.1021/acs.jmedchem.9b01888 | Histone deacetylase 6 | 1 |
| 32803970 | 10.1021/acs.jmedchem.9b01888 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine