Compound Detail
CHEMBL165651
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)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N(CCc1ccccc1)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL165651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NETGNERKSZIJFZ-QXAKKESOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
0.91
ALogP
5
HBA
3
HBD
122.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 7.85 | 7.85 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 14.0 | nM | 7.85 | Compound was tested for inhibitory concentration against Influenza sialidase typ... | 9526556 |
| Neuraminidase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of influenza A virus sialidase activity | 9526555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526555 | 10.1021/jm970374b | Neuraminidase | 3 |
| 9526556 | 10.1021/jm9703754 | Neuraminidase | 2 |
Data from ChEMBL 36 via Core Engine