Compound Detail
CHEMBL356824
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Basic Information
| ChEMBL ID | CHEMBL356824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQGKLYBEQDAOSV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
1.99
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 6.96 | 6.88 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 75.0 | nM | 7.12 | Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- G... | 32383881 |
| Histone deacetylase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of histone deacetylase (HDAC) activity in DU-145 nuclear extracts | 14711316 |
| Histone deacetylase | IC50 | = | 157.0 | nM | 6.8 | In vitro inhibitory concentration against histone deacetylase of DU-145 prostate... | 16107152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711316 | 10.1021/jm0303655 | Histone deacetylase | 1 |
| 16107152 | 10.1021/jm0503749 | Histone deacetylase | 1 |
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine