Compound Detail
CHEMBL5785366
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Basic Information
| ChEMBL ID | CHEMBL5785366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZODTJZLKVAKDP-DUXPYHPUSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
3.65
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 5.37 | 5.37 | 4308.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 0.5 | nM | 9.3 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 0.78 | nM | 9.11 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 6.4 | nM | 8.19 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 6 | IC50 | = | 9.5 | nM | 8.02 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 5 | IC50 | = | 4308.0 | nM | 5.37 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 8 | IC50 | = | 4900.0 | nM | 5.31 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine