Compound Detail
CHEMBL6003322
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Basic Information
| ChEMBL ID | CHEMBL6003322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQLSOSKDLAENJC-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
3.87
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 6.03 | 6.03 | 934.0 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 1.1 | nM | 8.96 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 1.2 | nM | 8.92 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 6 | IC50 | = | 2.3 | nM | 8.64 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 4.0 | nM | 8.4 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 7 | IC50 | = | 934.0 | nM | 6.03 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 9 | IC50 | = | 1470.0 | nM | 5.83 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine