Compound Detail
CHEMBL5082396
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5082396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIRZYWXRTLCARF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
396.3
MW (Da)
1.98
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.41 | 6.41 | 389.0 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 4.93 | 4.93 | 11820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 389.0 | nM | 6.41 | Inhibition of full length human HDAC6 using FAM-labeled acetylated peptide as su... | 33576627 |
| Histone deacetylase 6 | IC50 | = | 389.0 | nM | 6.41 | Inhibition of recombinant full length human HDAC6 expressed in insect Sf9 cells ... | 34101461 |
| MV4-11 | IC50 | = | 11820.0 | nM | 4.93 | Cytotoxicity against human MV4-11 cells assessed as cell viability incubated for... | 34101461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33576627 | 10.1021/acs.jmedchem.0c01922 | Histone deacetylase 8 | 1 |
| 33576627 | 10.1021/acs.jmedchem.0c01922 | Histone deacetylase 11 | 1 |
| 33576627 | 10.1021/acs.jmedchem.0c01922 | Histone deacetylase 6 | 1 |
| 33576627 | 10.1021/acs.jmedchem.0c01922 | Histone deacetylase 3 | 1 |
| 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