Compound Detail
CHEMBL3648267
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Basic Information
| ChEMBL ID | CHEMBL3648267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAAVMDJOBPIAGN-JLHYYAGUSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
3.98
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.04 | 7.04 | 92.0 | 3 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.48 | 6.48 | 329.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 92.0 | nM | 7.04 | Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL... | - |
| Histone deacetylase 1 | IC50 | = | 92.0 | nM | 7.04 | In Vitro HDAC Assay: The assay has been carried out in 96 well format and the BI... | - |
| Histone deacetylase 1 | IC50 | = | 92.0 | nM | 7.04 | Enzyme Assay: The assay has been carried out in 96 well format and the BIOMOL fl... | - |
| Histone deacetylase 8 | IC50 | = | 329.0 | nM | 6.48 | Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL... | - |
| Histone deacetylase 8 | IC50 | = | 329.0 | nM | 6.48 | Histone H3 Acetylation Assay: To determine EC50 where acetylated histone 3 was i... | - |
Data from ChEMBL 36 via Core Engine