Compound Detail
CHEMBL4863007
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CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=O)NNC2CCOCC2)[C@H]1NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL4863007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBVUIPVNOCMTHV-RCCFBDPRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
0.83
ALogP
6
HBA
5
HBD
138.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL6135 | IC50 | 5.92 | 5.92 | 1207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | IC50 | = | 1207.0 | nM | 5.92 | 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