Compound Detail
CHEMBL4566262
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CCCCC(CC)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4566262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGYGDLSGDNOTOG-WIIOAANXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
-0.87
ALogP
7
HBA
6
HBD
156.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sialidase-1 CHEMBL2726 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sialidase-1 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of His6-tagged human neuraminidase-1 expressed in HEK293 cells pre-in... | - |
Data from ChEMBL 36 via Core Engine