Compound Detail
CHEMBL142048
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Basic Information
| ChEMBL ID | CHEMBL142048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPUDPTOVKTZESW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.09
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.28 | 6.1 | 530.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 530.0 | nM | 6.28 | Inhibition of histone deacetylase (HDAC) activity in DU-145 nuclear extracts | 14711316 |
| Histone deacetylase | IC50 | = | 1200.0 | nM | 5.92 | In vitro inhibitory concentration against histone deacetylase of DU-145 prostate... | 16107152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711316 | 10.1021/jm0303655 | Histone deacetylase | 1 |
| 16107152 | 10.1021/jm0503749 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine