Compound Detail
CHEMBL305240
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CC(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(C(=O)OC(c2ccccc2)c2ccccc2)O[C@H]1c1n[nH]c(Cc2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL305240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUAIKMKZINTPMB-QRLJAKNQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
623.7
MW (Da)
5.08
ALogP
8
HBA
3
HBD
144.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 87000.0 | nM | 4.06 | Inhibitory activity against influenza A 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