Compound Detail
CHEMBL3342330
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Basic Information
| ChEMBL ID | CHEMBL3342330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLGAALHFJPFRFP-YNEHKIRRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
-0.25
ALogP
5
HBA
6
HBD
149.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL3559643 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Neuraminidase CHEMBL6135 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase | 25255388 |
| Neuraminidase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Influenza A virus A/chicken/china/415/2013(H9N2) Neuraminidase N2 | 25255388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25255388 | 10.1021/jm500892k | Neuraminidase | 5 |
Data from ChEMBL 36 via Core Engine