Compound Detail
CHEMBL321105
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Basic Information
| ChEMBL ID | CHEMBL321105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHTXCUZYAWQMQL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.35
ALogP
6
HBA
3
HBD
115.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 4.36 | 4.36 | 44000.0 | 2 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 44000.0 | nM | 4.36 | Inhibitory concentration against histone deacetylase | 14613312 |
| Histone deacetylase | IC50 | = | 44000.0 | nM | 4.36 | Inhibitory activity against partially purified histone deacetylase of human leuk... | 10425110 |
| Histone deacetylase 8 | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of Homo sapiens (human) HDAC8 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
| 10425110 | 10.1021/jm980565u | Histone deacetylase | 1 |
| - | 10.1007/s00044-011-9571-y | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine