Compound Detail
CHEMBL4439302
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Basic Information
| ChEMBL ID | CHEMBL4439302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAZDRBDEOWORSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
0.51
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | IC50 | 5.54 | 5.54 | 2896.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 198.0 | nM | 6.7 | Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expresse... | 31710483 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | IC50 | = | 2896.0 | nM | 5.54 | Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal G... | 31710483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Histone deacetylase 6 | 1 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Unchecked | 1 |
| 31710483 | 10.1021/acs.jmedchem.9b01194 | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | 1 |
Data from ChEMBL 36 via Core Engine