Compound Detail
CHEMBL1161284
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Basic Information
| ChEMBL ID | CHEMBL1161284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHIXWEQVFWGQTK-JMJZKYOTSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
-1.72
ALogP
6
HBA
4
HBD
125.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Ki 1 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | Ki | 9.41 | 9.41 | 0.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | Ki | = | 0.39 | nM | 9.41 | Neuraminidase binding affinity in Influenza A | 10602699 |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibitory concentration against neuraminidase. | 10602699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602699 | 10.1021/jm990105g | Unchecked | 1 |
| 10602699 | 10.1021/jm990105g | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine