Compound Detail
CHEMBL1213459
DEPUDECIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1213459 |
| Name | DEPUDECIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLVJMFOLJOOWFS-VJIFSZOSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
0.01
ALogP
4
HBA
2
HBD
65.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | Ki | 4.9 | 4.9 | 12500.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | Ki | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | Ki | = | 5500.0 | nM | 5.26 | Inhibition of human HDAC1 | 20139990 |
| Histone deacetylase 2 | Ki | = | 12500.0 | nM | 4.9 | Inhibition of human HDAC2 | 20139990 |
| Histone deacetylase 3 | Ki | = | 14500.0 | nM | 4.84 | Inhibition of human HDAC3 | 20139990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine