Compound Detail
CHEMBL3086942
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Basic Information
| ChEMBL ID | CHEMBL3086942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVELXZXKRCBTSM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
4.03
ALogP
4
HBA
1
HBD
33.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against cell culture derived HCV expressing NS5A-GFP fusion p... | 24177358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24177358 | 10.1016/j.ejmech.2013.09.055 | Unchecked | 1 |
| 24177358 | 10.1016/j.ejmech.2013.09.055 | Huh-7 | 1 |
| 24177358 | 10.1016/j.ejmech.2013.09.055 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine