Compound Detail
CHEMBL139193
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Basic Information
| ChEMBL ID | CHEMBL139193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCMHMVHZCJWLBS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.42
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts | 14698179 |
| Histone deacetylase 2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts | 14698179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 1 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 2 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 6 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase 8 | 1 |
| 14698179 | 10.1016/j.bmcl.2003.10.055 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine