Compound Detail
CHEMBL4753314
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
[N-]=[N+]=N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4753314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFKZKDOBWVGERZ-LRGKAINGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.2
MW (Da)
0.06
ALogP
7
HBA
5
HBD
185.1
PSA (Ų)
0.14
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.67 | 6.67 | 213.0 | 1 |
| Hemagglutinin-neuraminidase CHEMBL1764934 | IC50 | 6.37 | 5.745 | 430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 213.0 | nM | 6.67 | Inhibition of Newcastle disease virus neuraminidase using 4-MUNeu5Ac as substrat... | 32616179 |
| Hemagglutinin-neuraminidase | IC50 | = | 430.0 | nM | 6.37 | Inhibition of human parainfluenza virus type 1 Sendai Hemagglutinin-Neuraminidas... | 37849540 |
| Hemagglutinin-neuraminidase | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of human parainfluenza virus type 1 Sendai Hemagglutinin-Neuraminidas... | 37849540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849540 | 10.1021/acsmedchemlett.3c00291 | Hemagglutinin-neuraminidase | 2 |
| 32616179 | 10.1016/j.bmc.2020.115563 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine