Compound Detail
CHEMBL353063
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CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N(CCc1ccccc1)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL353063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDDODTKYXPWGDJ-IAOVAPTHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
-0.66
ALogP
6
HBA
4
HBD
159.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL3377 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of influenza B virus sialidase activity | 9526555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526555 | 10.1021/jm970374b | Neuraminidase | 4 |
Data from ChEMBL 36 via Core Engine