Compound Detail
CHEMBL5866233
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Basic Information
| ChEMBL ID | CHEMBL5866233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRCTUUQPMJAHKQ-AATRIKPKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.19
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.66 | 6.66 | 221.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.51 | 6.51 | 308.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 5.27 | 5.27 | 5354.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 221.0 | nM | 6.66 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 6 | IC50 | = | 308.0 | nM | 6.51 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 3 | IC50 | = | 470.0 | nM | 6.33 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 5 | IC50 | = | 5354.0 | nM | 5.27 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine