Compound Detail
CHEMBL4103801
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Basic Information
| ChEMBL ID | CHEMBL4103801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPCOIJFRGWCUHJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.3
MW (Da)
4.39
ALogP
4
HBA
3
HBD
61.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of HDAC6 (unknown origin) | 28453994 |
| Histone deacetylase 8 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of HDAC8 (unknown origin) | 28453994 |
| Histone deacetylase 11 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of HDAC11 (unknown origin) | 28453994 |
| Polyamine deacetylase HDAC10 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of HDAC10 (unknown origin) | 28453994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 1 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 3 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 6 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 7 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 8 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Polyamine deacetylase HDAC10 | 1 |
| 28453994 | 10.1016/j.ejmech.2017.04.013 | Histone deacetylase 11 | 1 |
Data from ChEMBL 36 via Core Engine