Compound Detail
CHEMBL3774890
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Basic Information
| ChEMBL ID | CHEMBL3774890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOLDSRJBCFTJIA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
4.16
ALogP
7
HBA
2
HBD
96.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.82 | 5.82 | 1531.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human recombinant HDAC6 using AMC labeled AC-peptide as substrate ... | 26443078 |
| Histone deacetylase 1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of human recombinant HDAC1 using AMC labeled AC-peptide as substrate ... | 26443078 |
| Histone deacetylase 8 | IC50 | = | 1531.0 | nM | 5.82 | Inhibition of human recombinant HDAC8 using AMC labeled AC-peptide as substrate ... | 26443078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26443078 | 10.1021/acs.jmedchem.5b01342 | Unchecked | 2 |
| 26443078 | 10.1021/acs.jmedchem.5b01342 | Histone deacetylase 1 | 1 |
| 26443078 | 10.1021/acs.jmedchem.5b01342 | Histone deacetylase 6 | 1 |
| 26443078 | 10.1021/acs.jmedchem.5b01342 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine