Compound Detail
CHEMBL5618912
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Basic Information
| ChEMBL ID | CHEMBL5618912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SARXQRPLWDIZLZ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
3.21
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.19
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| HEK-293T CHEMBL3706568 | IC50 | 5.02 | 5.02 | 9490.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HDAC6 (unknown origin) | 37875056 |
| Histone deacetylase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HDAC1 (unknown origin) | 37875056 |
| Histone deacetylase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HDAC2 (unknown origin) | 37875056 |
| Histone deacetylase 3 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HDAC3 (unknown origin) | 37875056 |
| Histone deacetylase 4 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HDAC4 (unknown origin) | 37875056 |
| HEK-293T | IC50 | = | 9490.0 | nM | 5.02 | Cytotoxicity against HEK293T cells | 37875056 |
| Unchecked | IC50 | = | 11620.0 | nM | 4.93 | Cytotoxicity against human PBMC cells | 37875056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37875056 | 10.1016/j.ejmech.2023.115879 | Unchecked | 3 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 6 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 1 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 2 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 3 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | HEK-293T | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 4 | 1 |
Data from ChEMBL 36 via Core Engine