Compound Detail
CHEMBL4475240
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Basic Information
| ChEMBL ID | CHEMBL4475240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDTITZXGIABRLG-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.69
ALogP
3
HBA
2
HBD
54.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.2 | 7.2 | 63.0 | 2 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 6.0 | 5.8 | 1000.0 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.96 | 4.96 | 10925.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 63.1 | nM | 7.2 | Inhibition of dye-labeled tracer binding to HDAC6 (unknown origin) transfected i... | 30964290 |
| Histone deacetylase 6 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of HDAC6 (unknown origin) | 38237257 |
| Polyamine deacetylase HDAC10 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC1... | 30964290 |
| Polyamine deacetylase HDAC10 | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected ... | 30964290 |
| Histone deacetylase 1 | IC50 | = | 10925.0 | nM | 4.96 | Inhibition of HDAC1 (unknown origin) | 38237257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964290 | 10.1021/acs.jmedchem.8b01936 | Polyamine deacetylase HDAC10 | 2 |
| 30964290 | 10.1021/acs.jmedchem.8b01936 | Histone deacetylase 6 | 1 |
| 30964290 | 10.1021/acs.jmedchem.8b01936 | Unchecked | 1 |
| 38237257 | 10.1016/j.bmc.2024.117587 | Histone deacetylase 1 | 1 |
| 38237257 | 10.1016/j.bmc.2024.117587 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine