Compound Detail
CHEMBL145685
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Basic Information
| ChEMBL ID | CHEMBL145685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDBWMZVBCYVNPS-FIFLTTCUSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.44
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.648 | 190.0 | 5 |
| Histone deacetylase HD1B CHEMBL3541 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 6.55 | 6.55 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibitory concentration against maize histone deacetylase 1-A (class IIa HDAC) | 15857140 |
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity afgainst maize Histone deacetylase 1-A | 14584932 |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibitory concentration against maize histone deacetylase 1-B (class I HDAC) | 15857140 |
| Histone deacetylase HD1B | IC50 | = | 260.0 | nM | 6.58 | Inhibition of maize histone deacetylase 1B | 17698257 |
| Histone deacetylase HD2 | IC50 | = | 280.0 | nM | 6.55 | Tested for maize Histone deacetylase 2 inhibitory activity | 14584932 |
| Histone deacetylase HD2 | IC50 | = | 280.0 | nM | 6.55 | Inhibitory concentration against maize histone deacetylase 2 | 15857140 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against maize Histone deacetylase 1-B | 14584932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584932 | 10.1021/jm034167p | Unchecked | 2 |
| 15857140 | 10.1021/jm049002a | Histone deacetylase HD2 | 2 |
| 15857140 | 10.1021/jm049002a | Unchecked | 2 |
| 14584932 | 10.1021/jm034167p | Histone deacetylase HD2 | 1 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Histone deacetylase HD1B | 1 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine