Compound Detail
CHEMBL178779
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Basic Information
| ChEMBL ID | CHEMBL178779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMWKKGIVGMUWJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.12
ALogP
4
HBA
2
HBD
42.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 340.0 | nM | 6.47 | Inhibitory concentration against human histone deacetylase | 15715470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715470 | 10.1021/jm049207j | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine