Compound Detail
CHEMBL460671
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Basic Information
| ChEMBL ID | CHEMBL460671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPVOYQFZOICNIL-XIIDOLPRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.37
ALogP
5
HBA
2
HBD
80.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Histone deacetylase HD1B CHEMBL3541 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Histone deacetylase HD1B | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of maize histone deacetylase 1B | 17698257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Unchecked | 2 |
| 17698257 | 10.1016/j.ejmech.2007.05.004 | Histone deacetylase HD1B | 1 |
Data from ChEMBL 36 via Core Engine