Compound Detail
CHEMBL516957
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Basic Information
| ChEMBL ID | CHEMBL516957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNTGEYXCBWKJOM-AKYRVGECSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.15
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.505 | 196.0 | 2 |
| Histone deacetylase HD1B CHEMBL3541 | IC50 | 6.29 | 6.07 | 510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 196.0 | nM | 6.71 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Unchecked | IC50 | = | 500.03 | nM | 6.3 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Histone deacetylase HD1B | IC50 | = | 510.0 | nM | 6.29 | Inhibition of maize histone deacetylase 1B | 17698257 |
| Histone deacetylase HD1B | IC50 | = | 1399.59 | nM | 5.85 | Inhibition of maize histone deacetylase 1B | 17698257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Unchecked | 3 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Histone deacetylase HD1B | 2 |
Data from ChEMBL 36 via Core Engine