Compound Detail
CHEMBL353581
PYROXAMIDE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL353581 |
| Name | PYROXAMIDE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | PTJGLFIIZFVFJV-UHFFFAOYSA-N |
8
Targets
9
Activities
2
Assay Types
0
PK Parameters
13
Publications
2
Known Names
Molecular Properties
265.3
MW (Da)
1.87
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 6 meas. best 8.57
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Histone deacetylase 6 CHEMBL1865 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Histone deacetylase 3 CHEMBL1829 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | Ki | 5.32 | 5.32 | 4750.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | Ki | = | 2.7 | nM | 8.57 | Inhibition of human HDAC1 | 20139990 |
| Histone deacetylase 6 | Ki | = | 4.8 | nM | 8.32 | Inhibition of human HDAC6 | 20139990 |
| Histone deacetylase 3 | Ki | = | 8.0 | nM | 8.1 | Inhibition of human HDAC3 | 20139990 |
| Histone deacetylase 6 | IC50 | = | 19.96 | nM | 7.7 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Histone deacetylase | IC50 | = | 200.0 | nM | 6.7 | Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50% | 11831887 |
| Histone deacetylase 8 | Ki | = | 1000.0 | nM | 6.0 | Activity of human HDAC8 | 20139990 |
| Histone deacetylase 5 | Ki | = | 4750.0 | nM | 5.32 | Inhibition of human HDAC5 | 20139990 |
| HCT-116 | IC50 | = | 6500.0 | nM | 5.19 | Concentration required to inhibit the HCT116 cell growth by 50%. | 11831887 |
| Histone deacetylase 2 | Ki | = | 36000.0 | nM | 4.44 | Inhibition of human HDAC2 | 20139990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 11831887 | 10.1021/jm015568c | Histone deacetylase | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5096127 | Schistosoma mansoni | 2 |
| 11831887 | 10.1021/jm015568c | HCT-116 | 1 |
| 20139990 | 10.1038/nchembio.313 | Histone deacetylase 1 | 1 |
| 20139990 | 10.1038/nchembio.313 | Histone deacetylase 2 | 1 |
| 20139990 | 10.1038/nchembio.313 | Histone deacetylase 3 | 1 |
| 20139990 | 10.1038/nchembio.313 | Histone deacetylase 5 | 1 |
| 20139990 | 10.1038/nchembio.313 | Histone deacetylase 6 | 1 |
| 20139990 | 10.1038/nchembio.313 | Histone deacetylase 8 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine