Compound Detail
CHEMBL5081920
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Basic Information
| ChEMBL ID | CHEMBL5081920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYOLHHSKTWYKOU-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.39
ALogP
5
HBA
3
HBD
92.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.28
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.28 | 7.28 | 52.3 | 2 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.31 | 6.31 | 489.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 52.3 | nM | 7.28 | Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as su... | 33769811 |
| Histone deacetylase 6 | IC50 | = | 52.48 | nM | 7.28 | Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as su... | 33769811 |
| Histone deacetylase 3 | IC50 | = | 494.0 | nM | 6.31 | Inhibition of recombinant HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as su... | 33769811 |
| Histone deacetylase 3 | IC50 | = | 489.78 | nM | 6.31 | Inhibition of recombinant HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as su... | 33769811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33769811 | 10.1021/acs.jmedchem.0c01940 | Histone deacetylase 3 | 2 |
| 33769811 | 10.1021/acs.jmedchem.0c01940 | Histone deacetylase 6 | 2 |
| 33769811 | 10.1021/acs.jmedchem.0c01940 | No relevant target | 2 |
| 33769811 | 10.1021/acs.jmedchem.0c01940 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine