Compound Detail
CHEMBL411020
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Basic Information
| ChEMBL ID | CHEMBL411020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXMYMOLEKLSCOU-FIFLTTCUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.44
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
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 CHEMBL2093865 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration against histone deacetylase | 14613312 |
| Histone deacetylase HD2 | IC50 | = | 1000.0 | nM | 6.0 | Concentration required for inhibition of histone deacetylase HD2 in vitro. | 14971890 |
| Histone deacetylase HD2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration against histone deacetylase HD2 enzyme. | 14971890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971890 | 10.1021/jm030990+ | Histone deacetylase HD2 | 3 |
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine