Compound Detail
CHEMBL101842
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 | CHEMBL101842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIZVYICXTDGLOE-IACUBPJLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
0.22
ALogP
5
HBA
3
HBD
122.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Neuraminidase CHEMBL3377 | IC50 | 6.02 | 6.01 | 950.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of influenza A virus sialidase activity | 9526555 |
| Neuraminidase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of influenza A sialidase (neuraminidase) | - |
| Neuraminidase | IC50 | = | 950.0 | nM | 6.02 | Inhibition of influenza B virus sialidase activity | 9526555 |
| Neuraminidase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of influenza B sialidase (neuraminidase) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526555 | 10.1021/jm970374b | Neuraminidase | 4 |
| - | 10.1016/S0960-894X(96)00542-2 | Neuraminidase | 2 |
Data from ChEMBL 36 via Core Engine