Compound Detail
CHEMBL453044
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Basic Information
| ChEMBL ID | CHEMBL453044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOTZQPIFNXRFJU-ZUVMSYQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.50
ALogP
5
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 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Histone deacetylase HD1B CHEMBL3541 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of maize histone deacetylase 1A | 17698257 |
| Histone deacetylase HD1B | IC50 | = | 22600.0 | nM | 4.65 | 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