Compound Detail
CHEMBL5409811
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[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)F
Basic Information
| ChEMBL ID | CHEMBL5409811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVYHYVKQDOZBNP-LRGKAINGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.2
MW (Da)
-0.57
ALogP
7
HBA
5
HBD
185.1
PSA (Ų)
0.16
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hemagglutinin-neuraminidase CHEMBL1764934 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hemagglutinin-neuraminidase | IC50 | = | 3000.0 | nM | 5.52 | 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 |
Data from ChEMBL 36 via Core Engine