Compound Detail
CHEMBL5747111
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Basic Information
| ChEMBL ID | CHEMBL5747111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYOXFTVBALRDRN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
4.56
ALogP
6
HBA
0
HBD
73.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 5 CHEMBL2563 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 5 | IC50 | = | 24.0 | nM | 7.62 | Enzymatic Assay: HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from ... | - |
| Histone deacetylase 6 | IC50 | = | 29.0 | nM | 7.54 | Enzymatic Assay: HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared i... | - |
| Histone deacetylase 1 | IC50 | = | 850.0 | nM | 6.07 | Enzymatic Assay: HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared i... | - |
Data from ChEMBL 36 via Core Engine