Compound Detail
CHEMBL5176422
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Basic Information
| ChEMBL ID | CHEMBL5176422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOSNQENAXBJBDT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
2.72
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.42 | 6.42 | 378.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.21 | 5.21 | 6140.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4167 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant full length human HDAC6 expressed in insect Sf9 cells ... | 34101461 |
| Histone deacetylase 8 | IC50 | = | 378.0 | nM | 6.42 | Inhibition of recombinant full length human HDAC8 expressed in insect Sf9 cells ... | 34101461 |
| MV4-11 | IC50 | = | 6140.0 | nM | 5.21 | 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 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine