Compound Detail
CHEMBL4852645
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 | CHEMBL4852645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXZOKLQVFRUCLC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.2
MW (Da)
4.07
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.45 | 7.015 | 3.6 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.44 | 7.01 | 3.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 3.59 | nM | 8.45 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
| Histone deacetylase 1 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of full length recombinant human HDAC1 expressed in baculovirus infec... | 33830764 |
| Histone deacetylase 6 | IC50 | = | 2620.0 | nM | 5.58 | Inhibition of full length recombinant human HDAC6 expressed in baculovirus infec... | 33830764 |
| Histone deacetylase 1 | IC50 | = | 2615.0 | nM | 5.58 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Histone deacetylase 6 | 3 |
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Histone deacetylase 1 | 1 |
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Unchecked | 1 |
| 33830764 | 10.1021/acs.jmedchem.0c02210 | Class 1 histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine