Compound Detail
CHEMBL141909
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Basic Information
| ChEMBL ID | CHEMBL141909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIACGEDCCCGABH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.97
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts | 14698179 |
| Histone deacetylase 1 | IC50 | = | 810.0 | nM | 6.09 | Inhibition of Histone deacetylase 1 (HDAC1) of HeLa nuclear extracts | 14698179 |
| Histone deacetylase 2 | IC50 | = | 890.0 | nM | 6.05 | Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts | 14698179 |
| Histone deacetylase 6 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of Histone deacetylase 6 (HDAC6) of HeLa nuclear extracts | 14698179 |
| Histone deacetylase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Histone deacetylase (HDAC)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