Compound Detail
CHEMBL359303
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Basic Information
| ChEMBL ID | CHEMBL359303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSSVMHPMCABDCZ-XDHOZWIPSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.39
ALogP
4
HBA
3
HBD
101.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.0 | 5.9733 | 1000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration against human Histone deacetylase 1 | 14613312 |
| Histone deacetylase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity on partially purified recombinant human Histone deacetylase ... | 12593661 |
| Histone deacetylase 1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Histone Deacetylase Enzymatic Assay: For deacetylase assays, 20,00... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613312 | 10.1021/jm0303094 | Histone deacetylase 1 | 1 |
| 14613312 | 10.1021/jm0303094 | Histone deacetylase 4 | 1 |
| 14613312 | 10.1021/jm0303094 | HCT-116 | 1 |
| 14613312 | 10.1021/jm0303094 | T-24 | 1 |
| 12593661 | 10.1021/jm020377a | Histone deacetylase 1 | 1 |
| 12593661 | 10.1021/jm020377a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine