Compound Detail
CHEMBL312098
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Basic Information
| ChEMBL ID | CHEMBL312098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMCCBRAFFWTYIH-ZPUQHVIOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.7
MW (Da)
2.41
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.6 | 6.6 | 252.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 252.0 | nM | 6.6 | Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract | 15109636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109636 | 10.1016/j.bmcl.2004.03.012 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine