Compound Detail
CHEMBL4857825
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Basic Information
| ChEMBL ID | CHEMBL4857825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPJFUWDPIOTPKO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.2
MW (Da)
3.05
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.13 | 6.13 | 743.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincub... | 33830764 |
| Histone deacetylase 1 | IC50 | = | 107.0 | nM | 6.97 | Inhibition of recombinant human HDAC1 using Ac-GAK(Ac)-AMC as substrate preincub... | 33830764 |
| Histone deacetylase 8 | IC50 | = | 743.0 | nM | 6.13 | Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preinc... | 33830764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Unchecked | 2 |
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Histone deacetylase 6 | 1 |
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Histone deacetylase 1 | 1 |
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine