Compound Detail
CHEMBL5172182
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 | CHEMBL5172182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXBFFCPFJFYHFX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
-0.32
ALogP
11
HBA
4
HBD
171.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.7 | 7.7 | 19.8 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.58 | 7.58 | 26.6 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 5.93 | 5.93 | 1171.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 15.98 | nM | 7.8 | Inhibition of HDAC6 (unknown origin) using trypsin and Ac-peptide as substrates | 35033824 |
| Histone deacetylase 1 | IC50 | = | 19.75 | nM | 7.7 | Inhibition of HDAC1 (unknown origin) using trypsin and Ac-peptide as substrates | 35033824 |
| Histone deacetylase 2 | IC50 | = | 26.6 | nM | 7.58 | Inhibition of HDAC2 (unknown origin) using trypsin and Ac-peptide as substrates | 35033824 |
| Egl nine homolog 1 | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of PHD2 (unknown origin) measured by fluorescence polarization assay | 35033824 |
| Histone deacetylase 4 | IC50 | = | 1171.32 | nM | 5.93 | Inhibition of HDAC4 (unknown origin) using trypsin and Ac-peptide as substrates | 35033824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35033824 | 10.1016/j.ejmech.2022.114115 | Mus musculus | 5 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | Egl nine homolog 1 | 4 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | MCF7 | 4 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | A549 | 4 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | HK-2 | 2 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | Histone deacetylase | 1 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | Histone deacetylase 1 | 1 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | Histone deacetylase 2 | 1 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | Histone deacetylase 4 | 1 |
| 35033824 | 10.1016/j.ejmech.2022.114115 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine