Compound Detail
CHEMBL3357201
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
Basic Information
| ChEMBL ID | CHEMBL3357201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYHJMOZGMHULPA-BFHYXJOUSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
0.40
ALogP
5
HBA
3
HBD
102.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.34
EC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL3559643 | IC50 | 7.34 | 7.34 | 45.4 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.9 | 6.9 | 127.0 | 1 |
| Neuraminidase CHEMBL1287610 | IC50 | 5.18 | 5.18 | 6648.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 45.4 | nM | 7.34 | Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methyl... | 25456388 |
| NON-PROTEIN TARGET | EC50 | = | 127.0 | nM | 6.9 | Antiviral activity against Influenza A virus A/WSN/1933(H1N1) infected in MDCK c... | 25456388 |
| Neuraminidase | IC50 | = | 6648.0 | nM | 5.18 | Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase H275Y mutant usin... | 25456388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25456388 | 10.1016/j.bmc.2014.10.005 | Neuraminidase | 2 |
| 25456388 | 10.1016/j.bmc.2014.10.005 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine