Compound Detail
CHEMBL303175
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Basic Information
| ChEMBL ID | CHEMBL303175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDPJCIUZXKMARF-NBEYISGCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-0.75
ALogP
7
HBA
3
HBD
140.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Neuraminidase CHEMBL3377 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 23000.0 | nM | 4.64 | Inhibitory activity against influenza A virus sialidase | - |
| Neuraminidase | IC50 | = | 43000.0 | nM | 4.37 | Inhibitory activity against influenza B virus sialidase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00399-5 | Neuraminidase | 2 |
Data from ChEMBL 36 via Core Engine