Compound Detail
CHEMBL235411
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Basic Information
| ChEMBL ID | CHEMBL235411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWIHVHAXBCNDLB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
4.27
ALogP
5
HBA
3
HBD
79.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant HDAC2 | 17941625 |
| Histone deacetylase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human recombinant HDAC1 | 17941625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17941625 | 10.1021/jm701079h | Histone deacetylase 1 | 2 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 2 | 2 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 3 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 8 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 4 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 5 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 6 | 1 |
| 17941625 | 10.1021/jm701079h | Histone deacetylase 7 | 1 |
Data from ChEMBL 36 via Core Engine