Compound Detail
CHEMBL3918660
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Basic Information
| ChEMBL ID | CHEMBL3918660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGZCUGGIJNIVPP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.51
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.04
EC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.04 | 8.04 | 9.2 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.06 | 5.06 | 8790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 9.2 | nM | 8.04 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
| Hepatitis C virus | EC50 | = | 270.0 | nM | 6.57 | Antiviral activity against HCV infected in human HuH7-luc/neo cells assessed as ... | 31201063 |
| Histone deacetylase 1 | IC50 | = | 8790.0 | nM | 5.06 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Histone deacetylase 6 | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Hepatitis C virus | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Huh-7 | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine