Compound Detail
CHEMBL3814382
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NC(=O)c1nc(/C=C/c2ccc(C(F)(F)F)cc2)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
Basic Information
| ChEMBL ID | CHEMBL3814382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBKPBYKIRGFUAX-MTHNLPQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
0.18
ALogP
8
HBA
4
HBD
143.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 90.0 | nM | 7.05 | Antiviral activity against Hepatitis C virus infected in African green monkey Ve... | 27262598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27262598 | 10.1016/j.bmcl.2016.05.072 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine