Compound Detail
CHEMBL4166328
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)OC[C@H]1O[C@@H](Sc2ccc(NC(=O)CCC(=O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(C)(C)O[C@@H]43)cn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL4166328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVHQLGLNEQJWGS-YCGSFYCRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
822.8
MW (Da)
0.49
ALogP
20
HBA
2
HBD
265.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Classical swine fever virus CHEMBL4296565 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Classical swine fever virus | IC50 | = | 49000.0 | nM | 4.31 | Antiviral activity against CSFV infected in SK6 cells assessed as reduction of p... | 28601004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28601004 | 10.1016/j.ejmech.2017.05.051 | Unchecked | 5 |
| 28601004 | 10.1016/j.ejmech.2017.05.051 | Classical swine fever virus | 1 |
| 28601004 | 10.1016/j.ejmech.2017.05.051 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine