Compound Detail
CHEMBL2235259
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Basic Information
| ChEMBL ID | CHEMBL2235259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAXMUHGSCCLVIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.2
MW (Da)
3.87
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of Homo sapiens (human) HDAC8 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9571-y | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine