Compound Detail
CHEMBL5283611
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Basic Information
| ChEMBL ID | CHEMBL5283611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAKJNBQITNLGKA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.00
ALogP
4
HBA
2
HBD
55.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human recombinant HDAC3/NCOR2 expressed in baculovirus infected Sf... | 33035922 |
| Histone deacetylase 6 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human full length recombinant HDAC6 expressed in baculovirus infec... | 33035922 |
| Histone deacetylase 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of human full length recombinant HDAC1 expressed in baculovirus infec... | 33035922 |
| Histone deacetylase 2 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of human full length recombinant HDAC2 expressed in baculovirus infec... | 33035922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 1 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 2 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 6 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine