Compound Detail
CHEMBL417594
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Basic Information
| ChEMBL ID | CHEMBL417594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKNOENNYEQISRB-FRKDHNBESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.49
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 4.91 | 4.91 | 12187.0 | 1 |
| Histone deacetylase CHEMBL2095943 | IC50 | 4.91 | 4.91 | 12187.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 12187.0 | nM | 4.91 | Inhibitory concentration against human histone deacetylase (HDAC) | 14613312 |
| Histone deacetylase | IC50 | = | 12187.0 | nM | 4.91 | Inhibitory activity against histone deacetylase (HDAC) | 12749885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
| 12749885 | 10.1016/s0960-894x(03)00284-1 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine