Compound Detail
CHEMBL3971359
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Basic Information
| ChEMBL ID | CHEMBL3971359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOMQYWKOSVYLAQ-HNNXBMFYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
1.47
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.59 | 7.59 | 25.6 | 3 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.12 | 5.12 | 7560.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 25.6 | nM | 7.59 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 6 | IC50 | = | 25.6 | nM | 7.59 | HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog... | - |
| Histone deacetylase 6 | IC50 | = | 25.6 | nM | 7.59 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 1 | IC50 | = | 7560.0 | nM | 5.12 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 1 | IC50 | = | 7560.0 | nM | 5.12 | HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog... | - |
| Histone deacetylase 1 | IC50 | = | 7560.0 | nM | 5.12 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
Data from ChEMBL 36 via Core Engine