Compound Detail
CHEMBL235192
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Basic Information
| ChEMBL ID | CHEMBL235192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXQXRCCLBIMWNG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.41
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human recombinant HDAC1 | 17941625 |
| Histone deacetylase 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human recombinant HDAC2 | 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