Compound Detail
CHEMBL6025079
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Basic Information
| ChEMBL ID | CHEMBL6025079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPNKNAUJVVUXMS-CSKARUKUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.36
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.73 | 7.73 | 18.7 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 4.83 | nM | 8.32 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 5.43 | nM | 8.27 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 6 | IC50 | = | 18.7 | nM | 7.73 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 40.0 | nM | 7.4 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 8 | IC50 | = | 1810.0 | nM | 5.74 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine