Compound Detail
CHEMBL4162826
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Basic Information
| ChEMBL ID | CHEMBL4162826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGUQTALSXMYZCZ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.43
ALogP
5
HBA
3
HBD
107.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.22 | 8.08 | 6.0 | 3 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.56 | 5.56 | 2740.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of recombinant human full length HDAC6 expressed in baculovirus infec... | 29057046 |
| Histone deacetylase 6 | IC50 | = | 9.76 | nM | 8.01 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 6 | IC50 | = | 9.76 | nM | 8.01 | HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog... | - |
| Histone deacetylase 1 | IC50 | = | 2740.0 | nM | 5.56 | Inhibition of recombinant human full length HDAC1 expressed in baculovirus infec... | 29057046 |
| Histone deacetylase 1 | IC50 | = | 2740.0 | nM | 5.56 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 1 | IC50 | = | 2740.0 | nM | 5.56 | HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29057046 | 10.1021/acsmedchemlett.7b00223 | Histone deacetylase 6 | 3 |
| 29057046 | 10.1021/acsmedchemlett.7b00223 | Unchecked | 3 |
| 29057046 | 10.1021/acsmedchemlett.7b00223 | Histone deacetylase 1 | 1 |
| 29057046 | 10.1021/acsmedchemlett.7b00223 | B16 | 1 |
Data from ChEMBL 36 via Core Engine