Compound Detail
CHEMBL5198759
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Basic Information
| ChEMBL ID | CHEMBL5198759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDMGBFIENCDMJS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
410.3
MW (Da)
2.32
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.84 | 6.84 | 143.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.74 | 6.74 | 184.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 6.61 | 6.61 | 246.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant full length human HDAC6 expressed in insect Sf9 cells ... | 34101461 |
| Histone deacetylase 3 | IC50 | = | 143.0 | nM | 6.84 | Inhibition of recombinant full length human HDAC3 expressed in insect Sf9 cells ... | 34101461 |
| Histone deacetylase 8 | IC50 | = | 184.0 | nM | 6.74 | Inhibition of recombinant full length human HDAC8 expressed in insect Sf9 cells ... | 34101461 |
| Histone deacetylase 11 | IC50 | = | 246.0 | nM | 6.61 | Inhibition of recombinant full length HDAC11 (unknown origin) expressed in insec... | 34101461 |
| MV4-11 | IC50 | = | 1010.0 | nM | 6.0 | Cytotoxicity against human MV4-11 cells assessed as cell viability incubated for... | 34101461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34101461 | 10.1021/acs.jmedchem.1c00420 | Unchecked | 1 |
| 34101461 | 10.1021/acs.jmedchem.1c00420 | MV4-11 | 1 |
| 34101461 | 10.1021/acs.jmedchem.1c00420 | Histone deacetylase 3 | 1 |
| 34101461 | 10.1021/acs.jmedchem.1c00420 | Histone deacetylase 6 | 1 |
| 34101461 | 10.1021/acs.jmedchem.1c00420 | Histone deacetylase 8 | 1 |
| 34101461 | 10.1021/acs.jmedchem.1c00420 | Histone deacetylase 11 | 1 |
| 34101461 | 10.1021/acs.jmedchem.1c00420 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine