Compound Detail
CHEMBL4872708
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CCCCCCNNC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL4872708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOEYQILHDYJMSN-IPMKNSEASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
2.23
ALogP
5
HBA
5
HBD
128.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 5.3 | 5.3 | 4983.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 4983.0 | nM | 5.3 | Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1) Neuraminidase using MUNANA... | 34082224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34082224 | 10.1016/j.ejmech.2021.113567 | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine