Compound Detail
CHEMBL294808
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Basic Information
| ChEMBL ID | CHEMBL294808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBQBQLCEBJBVHX-VOTSOKGWSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
1.68
ALogP
6
HBA
2
HBD
114.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Ki 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase HD2 CHEMBL4919 | Ki | 5.63 | 5.63 | 2344.2 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase HD2 | Ki | = | 2344.23 | nM | 5.63 | Experimental anti-HDAC (anti-histone deacetylase) activity of the compound | 11405644 |
| Histone deacetylase | IC50 | = | 3900.0 | nM | 5.41 | Inhibitory concentration against histone deacetylase | 14613312 |
| Histone deacetylase HD2 | IC50 | = | 3900.0 | nM | 5.41 | Inhibitory concentration against histone deacetylase activity | 11405644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405644 | 10.1021/jm015515v | Histone deacetylase HD2 | 3 |
| 2213836 | 10.1021/jm00172a026 | Vero | 2 |
| 2213836 | 10.1021/jm00172a026 | Human alphaherpesvirus 1 | 1 |
| 2213836 | 10.1021/jm00172a026 | Vaccinia virus | 1 |
| 2213836 | 10.1021/jm00172a026 | African swine fever virus | 1 |
| 2213836 | 10.1021/jm00172a026 | unidentified adenovirus | 1 |
| 2213836 | 10.1021/jm00172a026 | Vesicular stomatitis virus | 1 |
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine