Compound Detail
CHEMBL195156
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Basic Information
| ChEMBL ID | CHEMBL195156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNNRYJDFIFYKET-MLBAOAEZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
1.72
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.12
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| Neuraminidase CHEMBL3377 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Neuraminidase CHEMBL2051 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | Ki | = | 76.0 | nM | 7.12 | Inhibitory constant against neuraminidase Influenza A virus A/N2/Tokyo strain | 15943472 |
| Neuraminidase | Ki | = | 130.0 | nM | 6.89 | Inhibitory constant against neuraminidase of Influenza B virus B/Memphis strain | 15943472 |
| Neuraminidase | EC50 | = | 800.0 | nM | 6.1 | Effective concentration against neuraminidase Influenza A virus A/N2/Tokyo strai... | 15943472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943472 | 10.1021/jm049276y | Neuraminidase | 3 |
Data from ChEMBL 36 via Core Engine