Compound Detail
CHEMBL353758
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CCCCCCCCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL353758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWFDJWINITVGDL-QXAKKESOSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
1.49
ALogP
5
HBA
4
HBD
160.3
PSA (Ų)
0.18
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL2051 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.8 | mL.min-1.kg-1 | - |
| T1/2 | 0.92 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 7.0 | nM | 8.15 | Inhibition of influenza A virus sialidase activity | 9526555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526555 | 10.1021/jm970374b | Neuraminidase | 4 |
| 9526555 | 10.1021/jm970374b | ADMET | 3 |
| 9526555 | 10.1021/jm970374b | Mus musculus | 3 |
Data from ChEMBL 36 via Core Engine