Compound Detail
CHEMBL4567889
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
C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2C(=C(C)C(=O)[C@H]2NS(=O)(=O)c2ccc(C)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL4567889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJIUREPIUWEGCF-ITNCUTESSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
3.32
ALogP
5
HBA
1
HBD
89.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza B virus CHEMBL613129 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza B virus | IC50 | = | 14100.0 | nM | 4.85 | Antiviral activity against Influenza B virus infected in MDCK cells assessed as ... | 31439378 |
| Influenza A virus | IC50 | = | 14500.0 | nM | 4.84 | Antiviral activity against Influenza A virus H1N1 infected in dog MDCK cells ass... | 31439378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Unchecked | 2 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Influenza B virus | 1 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Influenza A virus H3N2 | 1 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | Influenza A virus | 1 |
| 31439378 | 10.1016/j.bmcl.2019.08.009 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine