Compound Detail
CHEMBL4534503
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Basic Information
| ChEMBL ID | CHEMBL4534503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMTWFUMOIHDRPF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.83
ALogP
5
HBA
3
HBD
92.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 6.8 | 6.7 | 158.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 79.43 | nM | 7.1 | Inhibition of dye-labeled tracer binding to HDAC6 (unknown origin) transfected i... | 30964290 |
| Polyamine deacetylase HDAC10 | IC50 | = | 158.49 | nM | 6.8 | Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC1... | 30964290 |
| Polyamine deacetylase HDAC10 | IC50 | = | 251.19 | nM | 6.6 | Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected ... | 30964290 |
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 |
Data from ChEMBL 36 via Core Engine