Compound Detail
CHEMBL5195946
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Basic Information
| ChEMBL ID | CHEMBL5195946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUDRNIOSRBCEFQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
2.76
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 6.43 | 6.43 | 375.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of full length human recombinant HDAC6 incubated for 30 to 60 mins by... | 33523672 |
| Histone deacetylase 3 | IC50 | = | 64.0 | nM | 7.19 | Inhibition of full length human recombinant HDAC3 incubated for 30 to 60 mins by... | 33523672 |
| Histone deacetylase 1 | IC50 | = | 108.0 | nM | 6.97 | Inhibition of full length human recombinant HDAC1 incubated for 30 to 60 mins by... | 33523672 |
| Histone deacetylase 2 | IC50 | = | 162.0 | nM | 6.79 | Inhibition of full length human recombinant HDAC2 incubated for 30 to 60 mins by... | 33523672 |
| Polyamine deacetylase HDAC10 | IC50 | = | 375.0 | nM | 6.43 | Inhibition of full length human recombinant HDAC10 incubated for 30 to 60 mins b... | 33523672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33523672 | 10.1021/acs.jmedchem.0c01782 | Histone deacetylase 1 | 1 |
| 33523672 | 10.1021/acs.jmedchem.0c01782 | Histone deacetylase 2 | 1 |
| 33523672 | 10.1021/acs.jmedchem.0c01782 | Histone deacetylase 3 | 1 |
| 33523672 | 10.1021/acs.jmedchem.0c01782 | Histone deacetylase 6 | 1 |
| 33523672 | 10.1021/acs.jmedchem.0c01782 | Histone deacetylase 8 | 1 |
| 33523672 | 10.1021/acs.jmedchem.0c01782 | Polyamine deacetylase HDAC10 | 1 |
| 33523672 | 10.1021/acs.jmedchem.0c01782 | Histone deacetylase 11 | 1 |
Data from ChEMBL 36 via Core Engine