Compound Detail
CHEMBL1767345
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Basic Information
| ChEMBL ID | CHEMBL1767345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKYJPJMSYOYHEC-FTNKSUMCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
1.65
ALogP
4
HBA
2
HBD
94.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of influenza A virus neuraminidase assessed as cleavage of MUNANA sub... | 21382719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21382719 | 10.1016/j.bmc.2011.02.019 | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine