Compound Detail
CHEMBL5893533
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Basic Information
| ChEMBL ID | CHEMBL5893533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOBRTECWEHXUDO-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
4.17
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.84 | 7.84 | 14.4 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.25 | 7.25 | 55.8 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 7.01 | 7.01 | 97.9 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 6.41 | 6.41 | 389.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 5.26 | 5.26 | 5512.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 14.4 | nM | 7.84 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 55.8 | nM | 7.25 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 3 | IC50 | = | 97.9 | nM | 7.01 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 5 | IC50 | = | 207.0 | nM | 6.68 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 4 | IC50 | = | 389.0 | nM | 6.41 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 8 | IC50 | = | 2400.0 | nM | 5.62 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 7 | IC50 | = | 5512.0 | nM | 5.26 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine