Compound Detail
CHEMBL195871
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
Basic Information
| ChEMBL ID | CHEMBL195871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCTJQJCCKGQBRZ-CIQGVGRVSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
0.86
ALogP
4
HBA
4
HBD
107.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.28
Ki 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Neuraminidase CHEMBL3377 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Neuraminidase CHEMBL2051 | EC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Neuraminidase CHEMBL3377 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | Ki | = | 610.0 | nM | 6.21 | Inhibitory constant against neuraminidase Influenza A virus A/N2/Tokyo strain | 15943472 |
| Neuraminidase | Ki | = | 610.0 | nM | 6.21 | Inhibitory constant against neuraminidase of Influenza B virus B/Memphis strain | 15943472 |
| Neuraminidase | EC50 | = | 5300.0 | nM | 5.28 | Effective concentration against neuraminidase Influenza A virus A/N2/Tokyo strai... | 15943472 |
| Neuraminidase | EC50 | = | 11000.0 | nM | 4.96 | Effective concentration against neuraminidase of Influenza B virus B/Memphis str... | 15943472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943472 | 10.1021/jm049276y | Neuraminidase | 4 |
Data from ChEMBL 36 via Core Engine