Compound Detail
CHEMBL4756537
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Basic Information
| ChEMBL ID | CHEMBL4756537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBYQBWHQMGPCBT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
4.08
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.27 | 7.27 | 53.7 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.25 | 7.25 | 56.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 7.1 | nM | 8.15 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 53.7 | nM | 7.27 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 56.1 | nM | 7.25 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
Data from ChEMBL 36 via Core Engine