Compound Detail
CHEMBL3342465
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CCC(CC)CN(C(=N)N)[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL3342465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZOJCRLYJDNFSE-IPMKNSEASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
2.48
ALogP
4
HBA
4
HBD
128.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL1667684 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 950.0 | nM | 6.02 | Inhibition of Influenza A virus A/chicken/china/1220/2012(H5N1) Neuraminidase N1 | 25255388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25255388 | 10.1021/jm500892k | Neuraminidase | 5 |
Data from ChEMBL 36 via Core Engine