Compound Detail
CHEMBL4636734
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Basic Information
| ChEMBL ID | CHEMBL4636734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLZBJQSJXZRREI-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.32
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- G... | 32383881 |
| Histone deacetylase 3 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- G... | 32383881 |
| Histone deacetylase 2 | IC50 | = | 49.0 | nM | 7.31 | Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- G... | 32383881 |
| Histone deacetylase 8 | IC50 | = | 89.0 | nM | 7.05 | Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- G... | 32383881 |
| Histone deacetylase 7 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gl... | 32383881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Unchecked | 4 |
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Histone deacetylase 1 | 1 |
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Histone deacetylase 2 | 1 |
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Histone deacetylase 3 | 1 |
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Histone deacetylase 8 | 1 |
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Histone deacetylase 7 | 1 |
Data from ChEMBL 36 via Core Engine