Compound Detail
CHEMBL5201529
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Basic Information
| ChEMBL ID | CHEMBL5201529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDFMAHPACZKESQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
2.58
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.56 | 6.56 | 273.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.22 | 5.22 | 5960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant full length human HDAC6 expressed in insect Sf9 cells ... | 34101461 |
| Histone deacetylase 8 | IC50 | = | 273.0 | nM | 6.56 | Inhibition of recombinant full length human HDAC8 expressed in insect Sf9 cells ... | 34101461 |
| MV4-11 | IC50 | = | 5960.0 | nM | 5.22 | 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 |
Data from ChEMBL 36 via Core Engine