Compound Detail
CHEMBL217816
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Basic Information
| ChEMBL ID | CHEMBL217816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDIKAACRDOZAQR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
1.93
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of... | 17107790 |
| Histone deacetylase | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of HDAC from human HeLa cells | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17107790 | 10.1016/j.bmcl.2006.10.045 | Histone deacetylase 1 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine