Compound Detail
CHEMBL371779
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL371779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDEQEDARTBEGEV-KQQUZDAGSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.3
MW (Da)
3.46
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.03 | 9289.7 | 3 |
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9300.0 | nM | 5.03 | Inhibitory concentration against maize histone deacetylase 1-A (class IIa HDAC) | 15857140 |
| Unchecked | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Unchecked | IC50 | = | 9289.66 | nM | 5.03 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Histone deacetylase HD2 | IC50 | = | 49000.0 | nM | 4.31 | Inhibitory concentration against maize histone deacetylase 2 | 15857140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857140 | 10.1021/jm049002a | Unchecked | 3 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Unchecked | 3 |
| 15857140 | 10.1021/jm049002a | Histone deacetylase HD2 | 2 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Histone deacetylase HD1B | 2 |
Data from ChEMBL 36 via Core Engine