Compound Detail
CHEMBL70627
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CCCn1nc([C@@H]2OC(C(=O)OC(c3ccccc3)c3ccccc3)=C[C@H](NC(=O)OC(C)(C)C)[C@H]2NC(C)=O)nc1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL70627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBBBAEQNGNCPKJ-ABAVYFCKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
665.8
MW (Da)
5.96
ALogP
9
HBA
2
HBD
133.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 12000.0 | nM | 4.92 | 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