Compound Detail
CHEMBL54806
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Basic Information
| ChEMBL ID | CHEMBL54806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQJHJEFLKIICMG-IVZWLZJFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
-0.78
ALogP
5
HBA
3
HBD
110.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Sialidase CHEMBL5189 | IC50 | 5.7 | 5.7 | 1999.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of neuraminidase of influenza A/PR/8/34(H1N1) | - |
| Sialidase | IC50 | = | 1999.86 | nM | 5.7 | Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbe... | 29141777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00333-8 | Neuraminidase | 1 |
| 29141777 | 10.1016/j.bmcl.2017.11.003 | Sialidase | 1 |
Data from ChEMBL 36 via Core Engine