Compound Detail
CHEMBL53768
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Basic Information
| ChEMBL ID | CHEMBL53768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSSVBLPCZUAOLK-HOSYDEDBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
0.42
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of neuraminidase of influenza A/PR/8/34(H1N1) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00333-8 | Neuraminidase | 1 |
| - | 10.1016/S0960-894X(97)00333-8 | unidentified influenza virus | 1 |
Data from ChEMBL 36 via Core Engine