Compound Detail
CHEMBL5401545
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CCC(CC)O[C@@H]1C=C(P(=O)(O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)C[C@H](N)[C@H]1NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL5401545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SASAWRLEIBZULD-NOVIIDPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
-0.66
ALogP
10
HBA
6
HBD
190.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | Ki | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | Ki | = | 0.29 | nM | 9.54 | Binding affinity to influenza A virus H1N1 (A/Norway/1758/07) neuraminidase usin... | 37120995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37120995 | 10.1016/j.ejmech.2023.115410 | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine