Compound Detail
CHEMBL5411309
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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](S(=O)(=O)O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5411309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZXYJUJTPRTNBD-IHICSVBISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
-3.43
ALogP
8
HBA
6
HBD
173.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL3232678 | IC50 | 5.05 | 5.05 | 8860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 8860.0 | nM | 5.05 | Inhibition of influenza A virus A/RI/5+/1957(H2N2) neuraminidase using 4-MU-Neu5... | 37120995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37120995 | 10.1016/j.ejmech.2023.115410 | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine